N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

• ChemBase ID: 843085
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: c1(n(c(=O)n(c(=O)c1)C)C)C(=O)N(Cc1ccc(cc1)CC)CCOC
• Canonical SMILES: COCCN(C(=O)c1cc(=O)n(c(=O)n1C)C)Cc1ccc(cc1)CC
• InChI: InChI=1S/C19H25N3O4/c1-5-14-6-8-15(9-7-14)13-22(10-11-26-4)18(24)16-12-17(23)21(3)19(25)20(16)2/h6-9,12H,5,10-11,13H2,1-4H3
• InChIKey: RTBULGIRLPSIJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
• IUPAC Traditional name: N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
• Synonyms: N-(4-ethylbenzyl)-N-(2-methoxyethyl)-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): 1.4955846
• LogD (pH = 7.4): 1.4955848
• Log P: 1.4955848
• Molar Refractivity: 99.9819 cm^3
• Polarizability: 37.563313 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: 2.18
• LOG S: -3.68
• Polar Surface Area: 73.54 Å^2
• Rotatable Bonds: 7