N-(cyclopropylmethyl)-2-[4-(9H-fluoren-2-ylmethyl)morpholin-3-yl]acetamide

• ChemBase ID: 572750
• Molecular Formular: C24H28N2O2
• Molecular Mass: 376.49132
• Monoisotopic Mass: 376.21507815
• SMILES: c12c(c3c(C1)cccc3)ccc(CN1C(CC(=O)NCC3CC3)COCC1)c2
• Canonical SMILES: O=C(CC1COCCN1Cc1ccc2c(c1)Cc1c2cccc1)NCC1CC1
• InChI: InChI=1S/C24H28N2O2/c27-24(25-14-17-5-6-17)13-21-16-28-10-9-26(21)15-18-7-8-23-20(11-18)12-19-3-1-2-4-22(19)23/h1-4,7-8,11,17,21H,5-6,9-10,12-16H2,(H,25,27)
• InChIKey: RFSIGRMQPUQBMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-2-[4-(9H-fluoren-2-ylmethyl)morpholin-3-yl]acetamide
• IUPAC Traditional name: N-(cyclopropylmethyl)-2-[4-(9H-fluoren-2-ylmethyl)morpholin-3-yl]acetamide
• Synonyms: N-(cyclopropylmethyl)-2-[4-(9H-fluoren-2-ylmethyl)-3-morpholinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.941042
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5979717
• LogD (pH = 7.4): 3.1624513
• Log P: 3.4339895
• Molar Refractivity: 111.6057 cm^3
• Polarizability: 44.56961 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.0
• LOG S: -5.62
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6