4-methyl-N-(2-methylpropyl)benzohydrazide

C12H18N2O — CID 71176452

IUPAC4-methyl-N-(2-methylpropyl)benzohydrazide
SMILESCc1ccc(C(=O)N(N)CC(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-9(2)8-14(13)12(15)11-6-4-10(3)5-7-11/h4-7,9H,8,13H2,1-3H3
InChIKeyWDKNKEGHLHHSEK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.97
Rot. Bonds3

About 4-methyl-N-(2-methylpropyl)benzohydrazide

4-methyl-N-(2-methylpropyl)benzohydrazide (PubChem CID 71176452) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)benzohydrazide.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)benzohydrazide
PubChem CID71176452
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-methyl-N-(2-methylpropyl)benzohydrazide
SMILESCc1ccc(C(=O)N(N)CC(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-9(2)8-14(13)12(15)11-6-4-10(3)5-7-11/h4-7,9H,8,13H2,1-3H3
InChIKeyWDKNKEGHLHHSEK-UHFFFAOYSA-N
XLogP1.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
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'}

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
2-methyl-3-[(4-methylbenzoyl)-(3-methylbutyl)amino]propanoic acid
CID 82324747
N-benzoyl-4-methylbenzohydrazide
CID 174274321
N-methoxy-4-methyl-N-(4-methylbenzoyl)benzamide
CID 134120196
1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one
CID 62613655
2-[(4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 60830660
4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide
CID 61378658
N-ethyl-4-methyl-N-(2-methylbutan-2-yl)benzamide
CID 70658254
3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62611644
N-carbamoyl-N,4-dimethylbenzamide
CID 69411182
(2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one
CID 10104411
4-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 17386163

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)benzohydrazide?
The IUPAC name of 4-methyl-N-(2-methylpropyl)benzohydrazide (CID 71176452) is 4-methyl-N-(2-methylpropyl)benzohydrazide.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)benzohydrazide?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)benzohydrazide is Cc1ccc(C(=O)N(N)CC(C)C)cc1.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)benzohydrazide?
The InChIKey is WDKNKEGHLHHSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)8-14(13)12(15)11-6-4-10(3)5-7-11/h4-7,9H,8,13H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)benzohydrazide?
4-methyl-N-(2-methylpropyl)benzohydrazide has a molecular weight of 206.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)benzohydrazide is sourced from PubChem (CID 71176452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).