4-butan-2-ylbenzohydrazide

C11H16N2O — CID 83386529

IUPAC4-butan-2-ylbenzohydrazide
SMILESCCC(C)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C11H16N2O/c1-3-8(2)9-4-6-10(7-5-9)11(14)13-12/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyWRIDJZVIFIWVID-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.80
Rot. Bonds3

About 4-butan-2-ylbenzohydrazide

4-butan-2-ylbenzohydrazide (PubChem CID 83386529) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-butan-2-ylbenzohydrazide.

Molecular Properties

Compound Name4-butan-2-ylbenzohydrazide
PubChem CID83386529
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-butan-2-ylbenzohydrazide
SMILESCCC(C)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C11H16N2O/c1-3-8(2)9-4-6-10(7-5-9)11(14)13-12/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyWRIDJZVIFIWVID-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 4-butan-2-ylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butan-2-yl-N-(2-hydroxyethyl)benzamide
CID 18724737
N-(2-acetamidoethyl)-4-butan-2-ylbenzamide
CID 110761277
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
amino 4-butan-2-ylbenzoate
CID 89484351
4-butan-2-yl-N-(trifluoromethylsulfonyl)benzamide
CID 135209714
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
3-amino-1-(4-butan-2-ylphenyl)butan-1-one
CID 116915577
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
(4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone
CID 116917421
N-[4-[(2R)-butan-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 2461107

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylbenzohydrazide?
The IUPAC name of 4-butan-2-ylbenzohydrazide (CID 83386529) is 4-butan-2-ylbenzohydrazide.
What is the SMILES notation for 4-butan-2-ylbenzohydrazide?
The canonical SMILES for 4-butan-2-ylbenzohydrazide is CCC(C)c1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-butan-2-ylbenzohydrazide?
The InChIKey is WRIDJZVIFIWVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-8(2)9-4-6-10(7-5-9)11(14)13-12/h4-8H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 4-butan-2-ylbenzohydrazide?
4-butan-2-ylbenzohydrazide has a molecular weight of 192.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylbenzohydrazide is sourced from PubChem (CID 83386529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).