2-(9H-carbazol-3-ylformamido)-N-(2-hydroxyethyl)acetamide

• ChemBase ID: 190567
• Molecular Formular: C17H17N3O3
• Molecular Mass: 311.33518
• Monoisotopic Mass: 311.12699142
• SMILES: [nH]1c2c(c3c1cccc3)cc(C(=O)NCC(=O)NCCO)cc2
• Canonical SMILES: OCCNC(=O)CNC(=O)c1ccc2c(c1)c1ccccc1[nH]2
• InChI: InChI=1S/C17H17N3O3/c21-8-7-18-16(22)10-19-17(23)11-5-6-15-13(9-11)12-3-1-2-4-14(12)20-15/h1-6,9,20-21H,7-8,10H2,(H,18,22)(H,19,23)
• InChIKey: IWYPWYUEJLWVHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(9H-carbazol-3-ylformamido)-N-(2-hydroxyethyl)acetamide
• IUPAC Traditional name: 2-(9H-carbazol-3-ylformamido)-N-(2-hydroxyethyl)acetamide

Database IDs

• PubChem SID: 164246477
• PubChem CID: 1601013

CALCULATED PROPERTIES

• Acid pKa: 14.334104
• H Acceptors: 3
• H Donor: 4
• LogD (pH = 5.5): 0.36981675
• LogD (pH = 7.4): 0.36981675
• Log P: 0.3698168
• Molar Refractivity: 86.5431 cm^3
• Polarizability: 35.060173 Å^3
• Polar Surface Area: 94.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds