4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide

C16H23N3O3 — CID 5199281

IUPAC4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
SMILESCCCC(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C16H23N3O3/c1-4-5-15(21)18-19-16(22)9-8-14(20)17-13-7-6-11(2)10-12(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyOUDUBXKTRQHARQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.97
Rot. Bonds6

About 4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide

4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 5199281) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
PubChem CID5199281
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
SMILESCCCC(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C16H23N3O3/c1-4-5-15(21)18-19-16(22)9-8-14(20)17-13-7-6-11(2)10-12(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyOUDUBXKTRQHARQ-UHFFFAOYSA-N
XLogP1.97
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.97
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

N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide
CID 47205616
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557
4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 3140681
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide
CID 42426908
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54831351
N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
CID 3505980
N-(2,4-dimethylphenyl)-2-methylidenepentanamide
CID 141225698
4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 17351757
N-(2,4-dimethylphenyl)-3-(2-ethylanilino)propanamide
CID 109035079

Frequently Asked Questions

What is the IUPAC name of 4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide (CID 5199281) is 4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide is CCCC(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is OUDUBXKTRQHARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-5-15(21)18-19-16(22)9-8-14(20)17-13-7-6-11(2)10-12(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of 4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide?
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide has a molecular weight of 305.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 5199281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).