2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(propan-2-yl)acetamide

• ChemBase ID: 713627
• Molecular Formular: C16H24N2O2
• Molecular Mass: 276.37396
• Monoisotopic Mass: 276.18377802
• SMILES: c12c(ccc(c1)OC)CCC(C2)NCC(=O)NC(C)C
• Canonical SMILES: COc1ccc2c(c1)CC(CC2)NCC(=O)NC(C)C
• InChI: InChI=1S/C16H24N2O2/c1-11(2)18-16(19)10-17-14-6-4-12-5-7-15(20-3)9-13(12)8-14/h5,7,9,11,14,17H,4,6,8,10H2,1-3H3,(H,18,19)
• InChIKey: IKNINQVCHDITRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-isopropyl-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
• Synonyms: N-isopropyl-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.437639
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0864457
• LogD (pH = 7.4): 0.47999883
• Log P: 1.8749086
• Molar Refractivity: 80.0759 cm^3
• Polarizability: 31.268278 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.03
• LOG S: -2.95
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5