N,N-diethyl-2-(1H-indol-1-yl)acetamide

• ChemBase ID: 115672
• Molecular Formular: C14H18N2O
• Molecular Mass: 230.30552
• Monoisotopic Mass: 230.14191321
• SMILES: n1(ccc2c1cccc2)CC(=O)N(CC)CC
• Canonical SMILES: CCN(C(=O)Cn1ccc2c1cccc2)CC
• InChI: InChI=1S/C14H18N2O/c1-3-15(4-2)14(17)11-16-10-9-12-7-5-6-8-13(12)16/h5-10H,3-4,11H2,1-2H3
• InChIKey: MBDSISHYDIYCBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-(1H-indol-1-yl)acetamide
• IUPAC Traditional name: N,N-diethyl-2-(indol-1-yl)acetamide
• Synonyms: N,N-diethyl-2-(1H-indol-1-yl)acetamide

Database IDs

• MDL Number: MFCD08679861
• PubChem SID: 162100483
• PubChem CID: 5168824

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1276927
• LogD (pH = 7.4): 2.1276927
• Log P: 2.1276927
• Molar Refractivity: 69.2386 cm^3
• Polarizability: 27.827656 Å^3
• Polar Surface Area: 25.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.671

Product Information

• Purity: 95+%