N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-(1,2-oxazolidin-2-yl)propanamide

• ChemBase ID: 543594
• Molecular Formular: C17H24N2O3
• Molecular Mass: 304.38406
• Monoisotopic Mass: 304.17869264
• SMILES: N(C(=O)CCN1OCCC1)(Cc1c(OC)cccc1)C1CC1
• Canonical SMILES: COc1ccccc1CN(C(=O)CCN1CCCO1)C1CC1
• InChI: InChI=1S/C17H24N2O3/c1-21-16-6-3-2-5-14(16)13-19(15-7-8-15)17(20)9-11-18-10-4-12-22-18/h2-3,5-6,15H,4,7-13H2,1H3
• InChIKey: QQJCVUIZUBXNJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-(1,2-oxazolidin-2-yl)propanamide
• IUPAC Traditional name: N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-(1,2-oxazolidin-2-yl)propanamide
• Synonyms: N-cyclopropyl-3-isoxazolidin-2-yl-N-(2-methoxybenzyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0793072
• LogD (pH = 7.4): 1.0794395
• Log P: 1.0794412
• Molar Refractivity: 84.5233 cm^3
• Polarizability: 33.22983 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.0
• LOG S: -3.12
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7