AC1L6HZ9
N-cyclohexylcyclohexanamine;5-ethoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
Also Known As: 4-{[(benzyloxy)carbonyl]amino}-5-ethoxy-5-oxopentanoic acid- n-cyclohexylcyclohexanamine(1:1)(non-preferred name)|N-cyclohexylcyclohexanamine,5-ethoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid|N-cyclohexylcyclohexanamine; 5-ethoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid|N-cyclohexylcyclohexanamine; 5-ethoxy-5-oxo-4-phenylmethoxycarbonylamino-pentanoic acid|N-cyclohexylcyclohexanamine;5-ethoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid|4-{[(Benzyloxy)carbonyl]amino}-5-ethoxy-5-oxopentanoic acid--N-cyclohexylcyclohexanamine (1/1)|4-{[(benzyloxy)carbonyl]amino}-5-ethoxy-5-oxopentanoic acid-n-cyclohexylcyclohexanamine(1:1)(non-preferred name)
| Molecular Formula | C27H42N2O6 |
|---|---|
| Molecular Weight | 490.3043 g/mol |
| LogP | 4.9507 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 490.3043 |
| Monoisotopic Mass | 490.3043 |
| Heavy Atoms | 35 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 487-12-7 |
|---|---|
| SMILES | CCOC(=O)C(CCC(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2 |
| InChIKey | OFMHHUWVARDYPY-UHFFFAOYSA-N |
Product Overview
AC1L6HZ9 (CAS 487-12-7), with molecular formula C27H42N2O6 and molecular weight 490.3043 g/mol. IUPAC: N-cyclohexylcyclohexanamine;5-ethoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid.