2-(4-methylanilino)butanehydrazide

C11H17N3O — CID 25219138

IUPAC2-(4-methylanilino)butanehydrazide
SMILESCCC(Nc1ccc(C)cc1)C(=O)NN
InChIInChI=1S/C11H17N3O/c1-3-10(11(15)14-12)13-9-6-4-8(2)5-7-9/h4-7,10,13H,3,12H2,1-2H3,(H,14,15)
InChIKeyHRNYWLLXJWIQFW-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.18
Rot. Bonds4

About 2-(4-methylanilino)butanehydrazide

2-(4-methylanilino)butanehydrazide (PubChem CID 25219138) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(4-methylanilino)butanehydrazide.

Molecular Properties

Compound Name2-(4-methylanilino)butanehydrazide
PubChem CID25219138
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(4-methylanilino)butanehydrazide
SMILESCCC(Nc1ccc(C)cc1)C(=O)NN
InChIInChI=1S/C11H17N3O/c1-3-10(11(15)14-12)13-9-6-4-8(2)5-7-9/h4-7,10,13H,3,12H2,1-2H3,(H,14,15)
InChIKeyHRNYWLLXJWIQFW-UHFFFAOYSA-N
XLogP1.18
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.18
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

ethyl (2S)-3-hydroxy-2-(4-methylanilino)propanoate
CID 167650197
2-(4-methylanilino)butanediamide
CID 66427556
ethyl 2-(4-aminoanilino)butanoate
CID 154214416
3-azido-2-(4-methylanilino)propanamide
CID 66429219
ethyl (2S)-2-(4-methylanilino)-4-methylsulfanylbutanoate
CID 67365394
2-(4-iodoanilino)butanamide
CID 62900403
2-(4-methylanilino)heptanoic acid
CID 54889807
2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid
CID 115352781
2-(4-methylanilino)nonanoic acid
CID 63524441
N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide
CID 42926088
1-(1-amino-1-sulfanylidenebutan-2-yl)-3-(4-methylphenyl)urea
CID 61122605
dimethyl 2-(4-methylanilino)propanedioate
CID 13331494

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)butanehydrazide?
The IUPAC name of 2-(4-methylanilino)butanehydrazide (CID 25219138) is 2-(4-methylanilino)butanehydrazide.
What is the SMILES notation for 2-(4-methylanilino)butanehydrazide?
The canonical SMILES for 2-(4-methylanilino)butanehydrazide is CCC(Nc1ccc(C)cc1)C(=O)NN.
What is the InChIKey of 2-(4-methylanilino)butanehydrazide?
The InChIKey is HRNYWLLXJWIQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-10(11(15)14-12)13-9-6-4-8(2)5-7-9/h4-7,10,13H,3,12H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-methylanilino)butanehydrazide?
2-(4-methylanilino)butanehydrazide has a molecular weight of 207.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)butanehydrazide is sourced from PubChem (CID 25219138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).