N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide

C15H21N3O3 — CID 3140685

IUPACN-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide
SMILESCCC(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C15H21N3O3/c1-4-13(19)17-18-15(21)8-7-14(20)16-12-6-5-10(2)9-11(12)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyZYXDZYDSJYDPGU-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.58
Rot. Bonds5

About N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide

N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide (PubChem CID 3140685) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide
PubChem CID3140685
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide
SMILESCCC(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C15H21N3O3/c1-4-13(19)17-18-15(21)8-7-14(20)16-12-6-5-10(2)9-11(12)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyZYXDZYDSJYDPGU-UHFFFAOYSA-N
XLogP1.58
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide (CID 3140685) is N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide is CCC(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide?
The InChIKey is ZYXDZYDSJYDPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-13(19)17-18-15(21)8-7-14(20)16-12-6-5-10(2)9-11(12)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide?
N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide has a molecular weight of 291.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide is sourced from PubChem (CID 3140685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).