2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide

C17H16N2O2 — CID 732294

IUPAC2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13-7-5-6-10-15(13)17(21)19-18-16(20)12-11-14-8-3-2-4-9-14/h2-12H,1H3,(H,18,20)(H,19,21)/b12-11+
InChIKeyYVFROUCFDWKCIB-VAWYXSNFSA-N
MW280.33 g/mol
LogP2.47
Rot. Bonds3

About 2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide

2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide (PubChem CID 732294) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
PubChem CID732294
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13-7-5-6-10-15(13)17(21)19-18-16(20)12-11-14-8-3-2-4-9-14/h2-12H,1H3,(H,18,20)(H,19,21)/b12-11+
InChIKeyYVFROUCFDWKCIB-VAWYXSNFSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide (CID 732294) is 2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide is Cc1ccccc1C(=O)NNC(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
The InChIKey is YVFROUCFDWKCIB-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-7-5-6-10-15(13)17(21)19-18-16(20)12-11-14-8-3-2-4-9-14/h2-12H,1H3,(H,18,20)(H,19,21)/b12-11+.
What are the key properties of 2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide has a molecular weight of 280.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide is sourced from PubChem (CID 732294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).