N'-butyl-4-methylbenzohydrazide

C12H18N2O — CID 118418346

IUPACN'-butyl-4-methylbenzohydrazide
SMILESCCCCNNC(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O/c1-3-4-9-13-14-12(15)11-7-5-10(2)6-8-11/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyLMSHERBROYROCZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.03
Rot. Bonds5

About N'-butyl-4-methylbenzohydrazide

N'-butyl-4-methylbenzohydrazide (PubChem CID 118418346) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-butyl-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-butyl-4-methylbenzohydrazide
PubChem CID118418346
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN'-butyl-4-methylbenzohydrazide
SMILESCCCCNNC(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O/c1-3-4-9-13-14-12(15)11-7-5-10(2)6-8-11/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyLMSHERBROYROCZ-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-butyl-4-tert-butylbenzohydrazide
CID 117094788
N'-butyl-3,4-dimethylbenzohydrazide
CID 162213335
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N'-undecylpyridine-4-carbohydrazide
CID 27387
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
N'-butyl-3-fluorobenzohydrazide
CID 118418454
N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide
CID 139558708
ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide
CID 177318198
N-[[(4-methylbenzoyl)amino]carbamothioyl]octanamide
CID 4959033
4-(3-methylheptylamino)-N'-propylbenzohydrazide
CID 166858690
(E)-N-[[4-(butylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide
CID 139575800

Frequently Asked Questions

What is the IUPAC name of N'-butyl-4-methylbenzohydrazide?
The IUPAC name of N'-butyl-4-methylbenzohydrazide (CID 118418346) is N'-butyl-4-methylbenzohydrazide.
What is the SMILES notation for N'-butyl-4-methylbenzohydrazide?
The canonical SMILES for N'-butyl-4-methylbenzohydrazide is CCCCNNC(=O)c1ccc(C)cc1.
What is the InChIKey of N'-butyl-4-methylbenzohydrazide?
The InChIKey is LMSHERBROYROCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-9-13-14-12(15)11-7-5-10(2)6-8-11/h5-8,13H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of N'-butyl-4-methylbenzohydrazide?
N'-butyl-4-methylbenzohydrazide has a molecular weight of 206.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-4-methylbenzohydrazide is sourced from PubChem (CID 118418346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).