N-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-N-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyrimidine-4-carboxamide

• ChemBase ID: 338655
• Molecular Formular: C19H23N3O4
• Molecular Mass: 357.40362
• Monoisotopic Mass: 357.16885623
• SMILES: c1(n(c(=O)n(c(=O)c1)C)C)C(=O)N(Cc1c(OCC)cccc1)CC=C
• Canonical SMILES: C=CCN(C(=O)c1cc(=O)n(c(=O)n1C)C)Cc1ccccc1OCC
• InChI: InChI=1S/C19H23N3O4/c1-5-11-22(13-14-9-7-8-10-16(14)26-6-2)18(24)15-12-17(23)21(4)19(25)20(15)3/h5,7-10,12H,1,6,11,13H2,2-4H3
• InChIKey: BYDDSTPDSOTRGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-N-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyrimidine-4-carboxamide
• IUPAC Traditional name: N-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-N-(prop-2-en-1-yl)pyrimidine-4-carboxamide
• Synonyms: N-allyl-N-(2-ethoxybenzyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5149565
• LogD (pH = 7.4): 1.5149568
• Log P: 1.5149568
• Molar Refractivity: 99.6707 cm^3
• Polarizability: 37.377605 Å^3
• Polar Surface Area: 70.16 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: 2.21
• LOG S: -3.7
• Polar Surface Area: 73.54 Å^2
• Rotatable Bonds: 7