N-(3-ethoxypropyl)-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide

• ChemBase ID: 750287
• Molecular Formular: C22H29N3O3
• Molecular Mass: 383.48396
• Monoisotopic Mass: 383.2208918
• SMILES: N1(C(C(=O)NCC1)CC(=O)NCCCOCC)Cc1cc2c(cc1)cccc2
• Canonical SMILES: CCOCCCNC(=O)CC1C(=O)NCCN1Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C22H29N3O3/c1-2-28-13-5-10-23-21(26)15-20-22(27)24-11-12-25(20)16-17-8-9-18-6-3-4-7-19(18)14-17/h3-4,6-9,14,20H,2,5,10-13,15-16H2,1H3,(H,23,26)(H,24,27)
• InChIKey: SARCIXQWGXXMFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethoxypropyl)-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
• IUPAC Traditional name: N-(3-ethoxypropyl)-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
• Synonyms: N-(3-ethoxypropyl)-2-[1-(2-naphthylmethyl)-3-oxo-2-piperazinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.215493
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.10003837
• LogD (pH = 7.4): 1.258846
• Log P: 1.3407891
• Molar Refractivity: 109.7911 cm^3
• Polarizability: 43.8381 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.15
• LOG S: -2.32
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 7