N'-(1-phenylethyl)ethoxycarbohydrazide

• ChemBase ID: 126403
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: O=C(OCC)NNC(c1ccccc1)C
• Canonical SMILES: CCOC(=O)NNC(c1ccccc1)C
• InChI: InChI=1S/C11H16N2O2/c1-3-15-11(14)13-12-9(2)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H,13,14)
• InChIKey: MSIUIUDKTKNUET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(1-phenylethyl)ethoxycarbohydrazide
• IUPAC Traditional name: N'-(1-phenylethyl)ethoxycarbohydrazide
• Synonyms: Carbenzide

Database IDs

• CAS Number: 3240-20-8
• PubChem SID: 162220737
• PubChem CID: 18608
• Chemspider ID: 17575
• Wikipedia Title: Carbenzide

CALCULATED PROPERTIES

• Acid pKa: 12.815924
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.011698
• LogD (pH = 7.4): 2.014028
• Log P: 2.0140593
• Molar Refractivity: 68.6811 cm^3
• Polarizability: 22.858475 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true