2-(2,4-dimethylanilino)propanehydrazide

C11H17N3O — CID 23861884

IUPAC2-(2,4-dimethylanilino)propanehydrazide
SMILESCc1ccc(NC(C)C(=O)NN)c(C)c1
InChIInChI=1S/C11H17N3O/c1-7-4-5-10(8(2)6-7)13-9(3)11(15)14-12/h4-6,9,13H,12H2,1-3H3,(H,14,15)
InChIKeyFKEBFRVGXPBHGW-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.09
Rot. Bonds3

About 2-(2,4-dimethylanilino)propanehydrazide

2-(2,4-dimethylanilino)propanehydrazide (PubChem CID 23861884) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)propanehydrazide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)propanehydrazide
PubChem CID23861884
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(2,4-dimethylanilino)propanehydrazide
SMILESCc1ccc(NC(C)C(=O)NN)c(C)c1
InChIInChI=1S/C11H17N3O/c1-7-4-5-10(8(2)6-7)13-9(3)11(15)14-12/h4-6,9,13H,12H2,1-3H3,(H,14,15)
InChIKeyFKEBFRVGXPBHGW-UHFFFAOYSA-N
XLogP1.09
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.09
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

methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673
2-(2-methylanilino)propanehydrazide
CID 23833506
tert-butyl 2-(2,4-dimethylanilino)propanoate
CID 66337211
(2S)-2-(2,4-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8562589
2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide
CID 51286469
(2R)-N-(2-acetylphenyl)-2-(2,4-dimethylanilino)propanamide
CID 35906873
2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 3283629
2-(2,4-dimethylphenyl)propanehydrazide
CID 116843832
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083827

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)propanehydrazide?
The IUPAC name of 2-(2,4-dimethylanilino)propanehydrazide (CID 23861884) is 2-(2,4-dimethylanilino)propanehydrazide.
What is the SMILES notation for 2-(2,4-dimethylanilino)propanehydrazide?
The canonical SMILES for 2-(2,4-dimethylanilino)propanehydrazide is Cc1ccc(NC(C)C(=O)NN)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)propanehydrazide?
The InChIKey is FKEBFRVGXPBHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-4-5-10(8(2)6-7)13-9(3)11(15)14-12/h4-6,9,13H,12H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,4-dimethylanilino)propanehydrazide?
2-(2,4-dimethylanilino)propanehydrazide has a molecular weight of 207.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)propanehydrazide is sourced from PubChem (CID 23861884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).