N-(furan-2-ylmethyl)-N-(2-methylpropyl)-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 686205
• Molecular Formular: C18H30N2O3
• Molecular Mass: 322.4424
• Monoisotopic Mass: 322.22564283
• SMILES: C(=O)(N(Cc1occc1)CC(C)C)CC1CN(C(C)C)CCO1
• Canonical SMILES: CC(CN(C(=O)CC1OCCN(C1)C(C)C)Cc1ccco1)C
• InChI: InChI=1S/C18H30N2O3/c1-14(2)11-20(12-16-6-5-8-22-16)18(21)10-17-13-19(15(3)4)7-9-23-17/h5-6,8,14-15,17H,7,9-13H2,1-4H3
• InChIKey: KAPXTJRLMMSDBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-(2-methylpropyl)-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-(4-isopropylmorpholin-2-yl)-N-(2-methylpropyl)acetamide
• Synonyms: N-(2-furylmethyl)-N-isobutyl-2-(4-isopropylmorpholin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.23176979
• LogD (pH = 7.4): 1.8545247
• Log P: 2.1892476
• Molar Refractivity: 91.0475 cm^3
• Polarizability: 35.671654 Å^3
• Polar Surface Area: 45.92 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: 2.13
• LOG S: -3.37
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 7