N-(carbamoylmethyl)-2-propylpentanamide

• ChemBase ID: 246760
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C(=O)(NCC(=O)N)C(CCC)CCC
• Canonical SMILES: CCCC(C(=O)NCC(=O)N)CCC
• InChI: InChI=1S/C10H20N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h8H,3-7H2,1-2H3,(H2,11,13)(H,12,14)
• InChIKey: RALGCAOVRLYSMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(carbamoylmethyl)-2-propylpentanamide
• IUPAC Traditional name: N-(carbamoylmethyl)-2-propylpentanamide
• Synonyms: N-(carbamoylmethyl)-2-propylpentanamide

Database IDs

• MDL Number: MFCD00870963
• PubChem SID: 164302670
• PubChem CID: 6918293

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.88622487
• Log P: 0.8862252
• Molar Refractivity: 54.8748 cm^3
• Polarizability: 21.578531 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 13.463368
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8862243

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.043

Product Information

• Purity: 95%