N-cyclopentyl-2-{[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]amino}propanamide

• ChemBase ID: 468106
• Molecular Formular: C19H28N2O2
• Molecular Mass: 316.43782
• Monoisotopic Mass: 316.21507815
• SMILES: C(=O)(NC1CCCC1)C(NCc1c(cc2c(c1)CCC2)OC)C
• Canonical SMILES: COc1cc2CCCc2cc1CNC(C(=O)NC1CCCC1)C
• InChI: InChI=1S/C19H28N2O2/c1-13(19(22)21-17-8-3-4-9-17)20-12-16-10-14-6-5-7-15(14)11-18(16)23-2/h10-11,13,17,20H,3-9,12H2,1-2H3,(H,21,22)
• InChIKey: HKWXNLQLDXTNEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-{[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]amino}propanamide
• IUPAC Traditional name: N-cyclopentyl-2-{[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]amino}propanamide
• Synonyms: N-cyclopentyl-2-{[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]amino}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.523654
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.942512
• LogD (pH = 7.4): 2.653191
• Log P: 3.199792
• Molar Refractivity: 92.361 cm^3
• Polarizability: 36.062363 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.33
• LOG S: -4.35
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 6