4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide

C13H17N3O3 — CID 3140697

IUPAC4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
SMILESCCC(=O)NNC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C13H17N3O3/c1-2-11(17)15-16-13(19)9-8-12(18)14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyBRELXRICEKWVTC-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.96
Rot. Bonds5

About 4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide

4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide (PubChem CID 3140697) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide.

Molecular Properties

Compound Name4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
PubChem CID3140697
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
SMILESCCC(=O)NNC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C13H17N3O3/c1-2-11(17)15-16-13(19)9-8-12(18)14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyBRELXRICEKWVTC-UHFFFAOYSA-N
XLogP0.96
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;N-phenylpropanamide
CID 159778408
N-[[(4-anilino-4-oxobutanoyl)amino]carbamothioyl]pentanamide
CID 4543574
N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide
CID 5333667
4-[2-(2-ethoxybenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4926492
N-phenylheptatetracontanamide
CID 150503307
N-phenylpentacosanamide
CID 19025260
3-fluoro-N-phenylpropanamide
CID 70366284
4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide
CID 5165535
N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
CID 2377822
4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3516495
4-oxo-N,4-diphenylbutanamide
CID 825307
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide?
The IUPAC name of 4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide (CID 3140697) is 4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide.
What is the SMILES notation for 4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide?
The canonical SMILES for 4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide is CCC(=O)NNC(=O)CCC(=O)Nc1ccccc1.
What is the InChIKey of 4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide?
The InChIKey is BRELXRICEKWVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-11(17)15-16-13(19)9-8-12(18)14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,18)(H,15,17)(H,16,19).
What are the key properties of 4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide?
4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide has a molecular weight of 263.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide is sourced from PubChem (CID 3140697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).