N-ethyl-3-{[({1-[ethyl(methyl)amino]cyclopentyl}methyl)carbamoyl]amino}-2-methylbenzamide

• ChemBase ID: 794450
• Molecular Formular: C20H32N4O2
• Molecular Mass: 360.49368
• Monoisotopic Mass: 360.25252628
• SMILES: C(=O)(Nc1c(c(C(=O)NCC)ccc1)C)NCC1(N(CC)C)CCCC1
• Canonical SMILES: CCNC(=O)c1cccc(c1C)NC(=O)NCC1(CCCC1)N(CC)C
• InChI: InChI=1S/C20H32N4O2/c1-5-21-18(25)16-10-9-11-17(15(16)3)23-19(26)22-14-20(24(4)6-2)12-7-8-13-20/h9-11H,5-8,12-14H2,1-4H3,(H,21,25)(H2,22,23,26)
• InChIKey: GXVRVLCYULKXOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-{[({1-[ethyl(methyl)amino]cyclopentyl}methyl)carbamoyl]amino}-2-methylbenzamide
• IUPAC Traditional name: N-ethyl-3-{[({1-[ethyl(methyl)amino]cyclopentyl}methyl)carbamoyl]amino}-2-methylbenzamide
• Synonyms: N-ethyl-3-({[({1-[ethyl(methyl)amino]cyclopentyl}methyl)amino]carbonyl}amino)-2-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.417211
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.71982837
• LogD (pH = 7.4): 0.43933368
• Log P: 2.6995554
• Molar Refractivity: 107.3298 cm^3
• Polarizability: 40.15268 Å^3
• Polar Surface Area: 73.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.91
• LOG S: -4.31
• Polar Surface Area: 73.47 Å^2
• Rotatable Bonds: 7