N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide

C12H17N3O2 — CID 117063512

IUPACN-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1C(=O)NN
InChIInChI=1S/C12H17N3O2/c1-12(2,3)11(17)14-9-7-5-4-6-8(9)10(16)15-13/h4-7H,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyDUBOAMLUYNZPGB-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.27
Rot. Bonds2

About N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide

N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 117063512) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
PubChem CID117063512
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1C(=O)NN
InChIInChI=1S/C12H17N3O2/c1-12(2,3)11(17)14-9-7-5-4-6-8(9)10(16)15-13/h4-7H,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyDUBOAMLUYNZPGB-UHFFFAOYSA-N
XLogP1.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid
CID 1494019
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 134110201
2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid
CID 3252927
2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448601
(2R)-2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 2307063
2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453622
3-[[2-(2,2-dimethylpropanoylamino)benzoyl]-methylamino]propanoic acid
CID 119362237
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
2-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61157007
2-(2,2-dimethylpropanoylcarbamothioylamino)-N-methylbenzamide
CID 17354115
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide (CID 117063512) is N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccccc1C(=O)NN.
What is the InChIKey of N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is DUBOAMLUYNZPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,3)11(17)14-9-7-5-4-6-8(9)10(16)15-13/h4-7H,13H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide?
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 235.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 117063512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).