N-cyclopentyl-N'-[(1R)-1-(3-methoxyphenyl)ethyl]butanediamide

• ChemBase ID: 740763
• Molecular Formular: C18H26N2O3
• Molecular Mass: 318.41064
• Monoisotopic Mass: 318.1943427
• SMILES: N(C(=O)CCC(=O)NC1CCCC1)[C@@H](c1cc(OC)ccc1)C
• Canonical SMILES: COc1cccc(c1)[C@H](NC(=O)CCC(=O)NC1CCCC1)C
• InChI: InChI=1S/C18H26N2O3/c1-13(14-6-5-9-16(12-14)23-2)19-17(21)10-11-18(22)20-15-7-3-4-8-15/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H,19,21)(H,20,22)/t13-/m1/s1
• InChIKey: ZZAJTSYFBXWXRM-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N'-[(1R)-1-(3-methoxyphenyl)ethyl]butanediamide
• IUPAC Traditional name: N-cyclopentyl-N'-[(1R)-1-(3-methoxyphenyl)ethyl]succinamide
• Synonyms: N-cyclopentyl-N'-[(1R)-1-(3-methoxyphenyl)ethyl]succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.190063
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7730626
• LogD (pH = 7.4): 1.7730627
• Log P: 1.7730627
• Molar Refractivity: 88.8826 cm^3
• Polarizability: 34.789833 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.17
• LOG S: -3.37
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 7