N-[(2-ethoxyphenyl)methyl]-N-(prop-2-en-1-yl)-2-(1H-pyrrol-1-yl)propanamide

• ChemBase ID: 570023
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: C(=O)(N(Cc1c(OCC)cccc1)CC=C)C(n1cccc1)C
• Canonical SMILES: C=CCN(C(=O)C(n1cccc1)C)Cc1ccccc1OCC
• InChI: InChI=1S/C19H24N2O2/c1-4-12-21(19(22)16(3)20-13-8-9-14-20)15-17-10-6-7-11-18(17)23-5-2/h4,6-11,13-14,16H,1,5,12,15H2,2-3H3
• InChIKey: UUSMZSXJBGANFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6188226
• LogD (pH = 7.4): 3.6188226
• Log P: 3.6188226
• Molar Refractivity: 92.8947 cm^3
• Polarizability: 35.850277 Å^3
• Polar Surface Area: 34.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.79
• LOG S: -4.72
• Polar Surface Area: 34.47 Å^2
• Rotatable Bonds: 8