N-{2-methoxy-4-[3-(1,2-oxazinan-2-yl)propanamido]phenyl}-3-methylbutanamide

• ChemBase ID: 570295
• Molecular Formular: C19H29N3O4
• Molecular Mass: 363.45126
• Monoisotopic Mass: 363.21580642
• SMILES: C(=O)(Nc1c(cc(NC(=O)CCN2OCCCC2)cc1)OC)CC(C)C
• Canonical SMILES: COc1cc(ccc1NC(=O)CC(C)C)NC(=O)CCN1CCCCO1
• InChI: InChI=1S/C19H29N3O4/c1-14(2)12-19(24)21-16-7-6-15(13-17(16)25-3)20-18(23)8-10-22-9-4-5-11-26-22/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,20,23)(H,21,24)
• InChIKey: UVVZQSRSZCEUJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-methoxy-4-[3-(1,2-oxazinan-2-yl)propanamido]phenyl}-3-methylbutanamide
• IUPAC Traditional name: N-{2-methoxy-4-[3-(1,2-oxazinan-2-yl)propanamido]phenyl}-3-methylbutanamide
• Synonyms: N-(2-methoxy-4-{[3-(1,2-oxazinan-2-yl)propanoyl]amino}phenyl)-3-methylbutanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.540627
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.8699539
• LogD (pH = 7.4): 1.8704828
• Log P: 1.8704926
• Molar Refractivity: 102.6453 cm^3
• Polarizability: 38.844196 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.14
• LOG S: -3.68
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 8