N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide

C15H21N3O3 — CID 102561459

IUPACN-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide
SMILESCCC(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C15H21N3O3/c1-5-9(2)13(19)17-18-15(21)14(20)16-12-7-6-10(3)11(4)8-12/h6-9H,5H2,1-4H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyGRMLRRSJZNLDHJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.44
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide

N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide (PubChem CID 102561459) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide
PubChem CID102561459
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide
SMILESCCC(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C15H21N3O3/c1-5-9(2)13(19)17-18-15(21)14(20)16-12-7-6-10(3)11(4)8-12/h6-9H,5H2,1-4H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyGRMLRRSJZNLDHJ-UHFFFAOYSA-N
XLogP1.44
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
(2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide
CID 40788859
N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798924
N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide
CID 108941829
N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108523149
N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide
CID 7292869
4-amino-N-(3,4-dimethylphenyl)-2-methyl-4-sulfanylidenebutanamide
CID 82119335
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide
CID 84578297

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide (CID 102561459) is N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide is CCC(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is GRMLRRSJZNLDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-5-9(2)13(19)17-18-15(21)14(20)16-12-7-6-10(3)11(4)8-12/h6-9H,5H2,1-4H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide?
N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 291.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 102561459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).