N,N-dimethyl-2-(propylamino)acetamide

• ChemBase ID: 261724
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)(N(C)C)CNCCC
• Canonical SMILES: CCCNCC(=O)N(C)C
• InChI: InChI=1S/C7H16N2O/c1-4-5-8-6-7(10)9(2)3/h8H,4-6H2,1-3H3
• InChIKey: YXADZTBSPDCZKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(propylamino)acetamide
• IUPAC Traditional name: N,N-dimethyl-2-(propylamino)acetamide
• Synonyms: N,N-dimethyl-2-(propylamino)acetamide

Database IDs

• MDL Number: MFCD11154469
• PubChem SID: 164317634
• PubChem CID: 28586300

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.264319
• LogD (pH = 7.4): -1.8461388
• Log P: -0.1951553
• Molar Refractivity: 41.6662 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.224

Product Information

• Purity: 95%