N-methyl-3-(2-oxoazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

• ChemBase ID: 629035
• Molecular Formular: C20H28N2O2
• Molecular Mass: 328.44852
• Monoisotopic Mass: 328.21507815
• SMILES: N(C1c2c(CCC1)cccc2)(C(=O)CCN1C(=O)CCCCC1)C
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)CCN1CCCCCC1=O
• InChI: InChI=1S/C20H28N2O2/c1-21(18-11-7-9-16-8-4-5-10-17(16)18)19(23)13-15-22-14-6-2-3-12-20(22)24/h4-5,8,10,18H,2-3,6-7,9,11-15H2,1H3
• InChIKey: LNHYDLARIWFXKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(2-oxoazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• IUPAC Traditional name: N-methyl-3-(2-oxoazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• Synonyms: N-methyl-3-(2-oxo-1-azepanyl)-N-(1,2,3,4-tetrahydro-1-naphthalenyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6018755
• LogD (pH = 7.4): 2.6018758
• Log P: 2.6018758
• Molar Refractivity: 95.5506 cm^3
• Polarizability: 36.987083 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.87
• LOG S: -4.05
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4