Compound C21H30N4O3

4-[benzoyl-[[cyclohexyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid

CAS: 81186-20-1

Molecular Formula	`C21H30N4O3`
Molecular Weight	386.5 g/mol
LogP	2.2
Topological Polar Surface Area	85.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	386.23178
Heavy Atoms	28
Complexity	554.0

Chemical Identifiers

CAS Number	81186-20-1
SMILES	`C1CCC(CC1)N(CN(CCCC(=O)O)C(=O)C2=CC=CC=C2)C3=NCCN3`
InChIKey	`PSFDRSWFKUYVET-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H30N4O3 (CAS: 81186-20-1) is a chemical compound with molecular formula C21H30N4O3 and molecular weight 386.5 g/mol. Its IUPAC systematic name is 4-[benzoyl-[[cyclohexyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid. LogP 2.2 Topological Polar Surface Area 85.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 386.23178 Heavy Atoms 28 Complexity 554.0 InChI Key: PSFDRSWFKUYVET-UHFFFAOYSA-N. SMILES: C1CCC(CC1)N(CN(CCCC(=O)O)C(=O)C2=CC=CC=C2)C3=NCCN3.

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