N-[(4-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbutanamide

• ChemBase ID: 342329
• Molecular Formular: C19H28N2O3
• Molecular Mass: 332.43722
• Monoisotopic Mass: 332.20999277
• SMILES: N1(C(=O)CCC1)CCCC(=O)N(Cc1ccc(cc1)OC)CCC
• Canonical SMILES: CCCN(C(=O)CCCN1CCCC1=O)Cc1ccc(cc1)OC
• InChI: InChI=1S/C19H28N2O3/c1-3-12-21(15-16-8-10-17(24-2)11-9-16)19(23)7-5-14-20-13-4-6-18(20)22/h8-11H,3-7,12-15H2,1-2H3
• InChIKey: GDLDDBGGVBEARL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbutanamide
• IUPAC Traditional name: N-[(4-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbutanamide
• Synonyms: N-(4-methoxybenzyl)-4-(2-oxopyrrolidin-1-yl)-N-propylbutanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7342656
• LogD (pH = 7.4): 1.7342657
• Log P: 1.7342657
• Molar Refractivity: 94.6576 cm^3
• Polarizability: 36.63001 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.26
• LOG S: -3.55
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 9