N-cyclopropyl-N-(1H-indol-6-ylmethyl)furan-2-carboxamide

• ChemBase ID: 222513
• Molecular Formular: C17H16N2O2
• Molecular Mass: 280.32114
• Monoisotopic Mass: 280.12117776
• SMILES: C(=O)(N(C1CC1)Cc1cc2[nH]ccc2cc1)c1occc1
• Canonical SMILES: O=C(N(C1CC1)Cc1ccc2c(c1)[nH]cc2)c1ccco1
• InChI: InChI=1S/C17H16N2O2/c20-17(16-2-1-9-21-16)19(14-5-6-14)11-12-3-4-13-7-8-18-15(13)10-12/h1-4,7-10,14,18H,5-6,11H2
• InChIKey: MNGPNWLLGULWMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-(1H-indol-6-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-(1H-indol-6-ylmethyl)furan-2-carboxamide

Database IDs

• PubChem SID: 164278423
• PubChem CID: 39378176

CALCULATED PROPERTIES

• Acid pKa: 16.34578
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6202846
• LogD (pH = 7.4): 2.6202846
• Log P: 2.6202846
• Molar Refractivity: 80.231 cm^3
• Polarizability: 31.463516 Å^3
• Polar Surface Area: 49.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds