TL;DR: (2S)-N-cyclopentyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-3-methylbutanamide (CAS 1212403-87-6) is a chemical compound with molecular formula C24H37N3O4 and molecular weight 431.2784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-cyclopentyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-3-methylbutanamide
Also Known As: (2S)-N-cyclopentyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-3-methylbutanamide, (S)-N-cyclopentyl-2-(3-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)ureido)-3-methylbutanamide, N-cyclopentyl-N~2~-({[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}carbamoyl)-L-valinamide
| Molecular Formula | C24H37N3O4 |
| Molecular Weight | 431.2784 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.2784 Da |
| Heavy Atoms | 31 |
| Complexity | 577.0 |
| SMILES | CC(C)[C@@H](C(=O)NC1CCCC1)NC(=O)NCC2(CCOCC2)C3=CC=C(C=C3)OC |
| InChIKey | DKHLOOUIDFKQRH-NRFANRHFSA-N |
The XLogP value of 3.4 indicates that (2S)-N-cyclopentyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-3-methylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-N-cyclopentyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-3-methylbutanamide. Following Lipinski's Rule of Five, (2S)-N-cyclopentyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-3-methylbutanamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S)-N-cyclopentyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-3-methylbutanamide is 1212403-87-6.
The molecular formula of (2S)-N-cyclopentyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-3-methylbutanamide is C24H37N3O4.
The molecular weight of (2S)-N-cyclopentyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-3-methylbutanamide is 431.2784 g/mol.
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