N,2-dimethyl-N-(1-{1-[2-(morpholin-4-yl)propanoyl]piperidin-4-yl}-2-phenylethyl)furan-3-carboxamide

• ChemBase ID: 505821
• Molecular Formular: C27H37N3O4
• Molecular Mass: 467.60038
• Monoisotopic Mass: 467.27840668
• SMILES: c1(C(=O)N(C(C2CCN(C(=O)C(N3CCOCC3)C)CC2)Cc2ccccc2)C)c(occ1)C
• Canonical SMILES: O=C(C(N1CCOCC1)C)N1CCC(CC1)C(N(C(=O)c1ccoc1C)C)Cc1ccccc1
• InChI: InChI=1S/C27H37N3O4/c1-20(29-14-17-33-18-15-29)26(31)30-12-9-23(10-13-30)25(19-22-7-5-4-6-8-22)28(3)27(32)24-11-16-34-21(24)2/h4-8,11,16,20,23,25H,9-10,12-15,17-19H2,1-3H3
• InChIKey: AWVPLADDRVOAKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-(1-{1-[2-(morpholin-4-yl)propanoyl]piperidin-4-yl}-2-phenylethyl)furan-3-carboxamide
• IUPAC Traditional name: N,2-dimethyl-N-(1-{1-[2-(morpholin-4-yl)propanoyl]piperidin-4-yl}-2-phenylethyl)furan-3-carboxamide
• Synonyms: N,2-dimethyl-N-(1-{1-[2-(4-morpholinyl)propanoyl]-4-piperidinyl}-2-phenylethyl)-3-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9901031
• LogD (pH = 7.4): 2.6214426
• Log P: 2.6400099
• Molar Refractivity: 133.1684 cm^3
• Polarizability: 50.987503 Å^3
• Polar Surface Area: 66.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.54
• LOG S: -1.0
• Polar Surface Area: 66.23 Å^2
• Rotatable Bonds: 7