N-phenylpropanehydrazide

C9H12N2O — CID 18522904

IUPACN-phenylpropanehydrazide
SMILESCCC(=O)N(N)c1ccccc1
InChIInChI=1S/C9H12N2O/c1-2-9(12)11(10)8-6-4-3-5-7-8/h3-7H,2,10H2,1H3
InChIKeyJWFGERXJODLOFN-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.30
Rot. Bonds2

About N-phenylpropanehydrazide

N-phenylpropanehydrazide (PubChem CID 18522904) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-phenylpropanehydrazide.

Molecular Properties

Compound NameN-phenylpropanehydrazide
PubChem CID18522904
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-phenylpropanehydrazide
SMILESCCC(=O)N(N)c1ccccc1
InChIInChI=1S/C9H12N2O/c1-2-9(12)11(10)8-6-4-3-5-7-8/h3-7H,2,10H2,1H3
InChIKeyJWFGERXJODLOFN-UHFFFAOYSA-N
XLogP1.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-phenylacetohydrazide
CID 70067236
N-(3,4-dihydroxyphenyl)propanehydrazide
CID 159411729
N-phenyl-N-propanoylbenzamide
CID 13029157
(2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide
CID 70512604
butane;1,1-diphenylurea
CID 70397101
benzyl N-amino-N-phenylcarbamate
CID 54267520
3-ethoxy-1,1-diphenylurea
CID 162373128
octyl N-amino-N-phenylcarbamate
CID 174873425
methyl (2S)-2-(N-propanoylanilino)butanoate
CID 95626471
N-phenyl-N-(3-phenylpropyl)propanamide
CID 178077722
N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
CID 23192818
N-[(E)-but-2-enyl]-N-phenylpropanamide
CID 134899700

Frequently Asked Questions

What is the IUPAC name of N-phenylpropanehydrazide?
The IUPAC name of N-phenylpropanehydrazide (CID 18522904) is N-phenylpropanehydrazide.
What is the SMILES notation for N-phenylpropanehydrazide?
The canonical SMILES for N-phenylpropanehydrazide is CCC(=O)N(N)c1ccccc1.
What is the InChIKey of N-phenylpropanehydrazide?
The InChIKey is JWFGERXJODLOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-9(12)11(10)8-6-4-3-5-7-8/h3-7H,2,10H2,1H3.
What are the key properties of N-phenylpropanehydrazide?
N-phenylpropanehydrazide has a molecular weight of 164.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpropanehydrazide is sourced from PubChem (CID 18522904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).