N-(4-methoxy-2-methylphenyl)-3-{[(2S)-1-methoxypropan-2-yl]amino}propanamide

• ChemBase ID: 517368
• Molecular Formular: C15H24N2O3
• Molecular Mass: 280.36266
• Monoisotopic Mass: 280.17869264
• SMILES: N(c1c(cc(cc1)OC)C)C(=O)CCN[C@H](COC)C
• Canonical SMILES: COC[C@@H](NCCC(=O)Nc1ccc(cc1C)OC)C
• InChI: InChI=1S/C15H24N2O3/c1-11-9-13(20-4)5-6-14(11)17-15(18)7-8-16-12(2)10-19-3/h5-6,9,12,16H,7-8,10H2,1-4H3,(H,17,18)/t12-/m0/s1
• InChIKey: FGAMYUUPNWOGAB-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxy-2-methylphenyl)-3-{[(2S)-1-methoxypropan-2-yl]amino}propanamide
• IUPAC Traditional name: N-(4-methoxy-2-methylphenyl)-3-{[(2S)-1-methoxypropan-2-yl]amino}propanamide
• Synonyms: 3-{[(1S)-2-methoxy-1-methylethyl]amino}-N-(4-methoxy-2-methylphenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.91913
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.4158058
• LogD (pH = 7.4): -0.05786389
• Log P: 1.6817691
• Molar Refractivity: 80.7214 cm^3
• Polarizability: 30.916597 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.28
• LOG S: -2.34
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 8