N-methyl-2-[4-methyl-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(2-methylprop-2-en-1-yl)acetamide

• ChemBase ID: 636676
• Molecular Formular: C21H29N3O4
• Molecular Mass: 387.47266
• Monoisotopic Mass: 387.21580642
• SMILES: N1(c2cc(C(=O)N3CCOCC3)ccc2OCC1CC(=O)N(CC(=C)C)C)C
• Canonical SMILES: CC(=C)CN(C(=O)CC1COc2c(N1C)cc(cc2)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C21H29N3O4/c1-15(2)13-22(3)20(25)12-17-14-28-19-6-5-16(11-18(19)23(17)4)21(26)24-7-9-27-10-8-24/h5-6,11,17H,1,7-10,12-14H2,2-4H3
• InChIKey: RHRPFWQESMYZCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[4-methyl-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(2-methylprop-2-en-1-yl)acetamide
• IUPAC Traditional name: N-methyl-2-[4-methyl-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(2-methylprop-2-en-1-yl)acetamide
• Synonyms: N-methyl-2-[4-methyl-6-(morpholin-4-ylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(2-methylprop-2-en-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2213675
• LogD (pH = 7.4): 1.2213691
• Log P: 1.2213691
• Molar Refractivity: 108.4416 cm^3
• Polarizability: 40.98167 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.34
• LOG S: -3.62
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 5