N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]oxolane-3-carboxamide

• ChemBase ID: 528789
• Molecular Formular: C16H23NO4
• Molecular Mass: 293.35812
• Monoisotopic Mass: 293.16270822
• SMILES: C(=O)(N(Cc1cc(OC)ccc1)CCOC)C1COCC1
• Canonical SMILES: COCCN(C(=O)C1CCOC1)Cc1cccc(c1)OC
• InChI: InChI=1S/C16H23NO4/c1-19-9-7-17(16(18)14-6-8-21-12-14)11-13-4-3-5-15(10-13)20-2/h3-5,10,14H,6-9,11-12H2,1-2H3
• InChIKey: PSLMZFJTNVVHRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]oxolane-3-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]oxolane-3-carboxamide
• Synonyms: N-(3-methoxybenzyl)-N-(2-methoxyethyl)tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0692347
• LogD (pH = 7.4): 1.0692347
• Log P: 1.0692347
• Molar Refractivity: 80.3743 cm^3
• Polarizability: 31.293112 Å^3
• Polar Surface Area: 48.0 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: 1.04
• LOG S: -2.23
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7