N-cyclopentyl-2-[(9H-fluoren-9-yl)amino]propanamide

• ChemBase ID: 367947
• Molecular Formular: C21H24N2O
• Molecular Mass: 320.42806
• Monoisotopic Mass: 320.1888634
• SMILES: C1(c2c(c3c1cccc3)cccc2)NC(C(=O)NC1CCCC1)C
• Canonical SMILES: O=C(C(NC1c2ccccc2c2c1cccc2)C)NC1CCCC1
• InChI: InChI=1S/C21H24N2O/c1-14(21(24)23-15-8-2-3-9-15)22-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h4-7,10-15,20,22H,2-3,8-9H2,1H3,(H,23,24)
• InChIKey: MQEJIKNOXJZTHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-[(9H-fluoren-9-yl)amino]propanamide
• IUPAC Traditional name: N-cyclopentyl-2-(9H-fluoren-9-ylamino)propanamide
• Synonyms: N-cyclopentyl-2-(9H-fluoren-9-ylamino)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.702569
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4941196
• LogD (pH = 7.4): 3.2147608
• Log P: 3.8079972
• Molar Refractivity: 96.3776 cm^3
• Polarizability: 39.200344 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.73
• LOG S: -5.83
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4