N-[(3-ethoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(prop-2-en-1-yl)propanamide

• ChemBase ID: 837948
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: N1(C(C(=O)N(Cc2cc(OCC)ccc2)CC=C)C)C(=O)CCC1
• Canonical SMILES: C=CCN(C(=O)C(N1CCCC1=O)C)Cc1cccc(c1)OCC
• InChI: InChI=1S/C19H26N2O3/c1-4-11-20(14-16-8-6-9-17(13-16)24-5-2)19(23)15(3)21-12-7-10-18(21)22/h4,6,8-9,13,15H,1,5,7,10-12,14H2,2-3H3
• InChIKey: PTDYCJWTUZZGFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(prop-2-en-1-yl)propanamide
• IUPAC Traditional name: N-[(3-ethoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(prop-2-en-1-yl)propanamide
• Synonyms: N-allyl-N-(3-ethoxybenzyl)-2-(2-oxopyrrolidin-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9860834
• LogD (pH = 7.4): 1.9860835
• Log P: 1.9860835
• Molar Refractivity: 94.3358 cm^3
• Polarizability: 36.38747 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.75
• LOG S: -3.96
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8