N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide

• ChemBase ID: 741639
• Molecular Formular: C18H29N3O2
• Molecular Mass: 319.44176
• Monoisotopic Mass: 319.22597718
• SMILES: C(=O)(N(C(c1ccc(cc1)OC)C)C)CN1CCN(CCC1)C
• Canonical SMILES: COc1ccc(cc1)C(N(C(=O)CN1CCCN(CC1)C)C)C
• InChI: InChI=1S/C18H29N3O2/c1-15(16-6-8-17(23-4)9-7-16)20(3)18(22)14-21-11-5-10-19(2)12-13-21/h6-9,15H,5,10-14H2,1-4H3
• InChIKey: SKRWVAWJHFQSEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
• IUPAC Traditional name: N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
• Synonyms: N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8254135
• LogD (pH = 7.4): -0.08459761
• Log P: 1.1990185
• Molar Refractivity: 94.0984 cm^3
• Polarizability: 36.633976 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.31
• LOG S: -2.65
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 5