N'-butyl-3,4-dimethylbenzohydrazide

C13H20N2O — CID 162213335

IUPACN'-butyl-3,4-dimethylbenzohydrazide
SMILESCCCCNNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H20N2O/c1-4-5-8-14-15-13(16)12-7-6-10(2)11(3)9-12/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyZTDMWQYLKJYWOG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.34
Rot. Bonds5

About N'-butyl-3,4-dimethylbenzohydrazide

N'-butyl-3,4-dimethylbenzohydrazide (PubChem CID 162213335) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-butyl-3,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-butyl-3,4-dimethylbenzohydrazide
PubChem CID162213335
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN'-butyl-3,4-dimethylbenzohydrazide
SMILESCCCCNNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H20N2O/c1-4-5-8-14-15-13(16)12-7-6-10(2)11(3)9-12/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyZTDMWQYLKJYWOG-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.34
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'}

Analyze N'-butyl-3,4-dimethylbenzohydrazide 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

N'-butyl-4-methylbenzohydrazide
CID 118418346
N'-butyl-4-tert-butylbenzohydrazide
CID 117094788
N-hexyl-3,4-dimethylbenzamide
CID 4523484
N'-butyl-3-fluorobenzohydrazide
CID 118418454
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336
N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
CID 19685456
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499
N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
CID 108574738
N'-heptylpyrimidine-5-carbohydrazide
CID 156654791
N'-undecylpyridine-4-carbohydrazide
CID 27387
3-(butylamino)propyl 3,4-dimethylbenzoate
CID 82532335

Frequently Asked Questions

What is the IUPAC name of N'-butyl-3,4-dimethylbenzohydrazide?
The IUPAC name of N'-butyl-3,4-dimethylbenzohydrazide (CID 162213335) is N'-butyl-3,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-butyl-3,4-dimethylbenzohydrazide?
The canonical SMILES for N'-butyl-3,4-dimethylbenzohydrazide is CCCCNNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N'-butyl-3,4-dimethylbenzohydrazide?
The InChIKey is ZTDMWQYLKJYWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-5-8-14-15-13(16)12-7-6-10(2)11(3)9-12/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of N'-butyl-3,4-dimethylbenzohydrazide?
N'-butyl-3,4-dimethylbenzohydrazide has a molecular weight of 220.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-3,4-dimethylbenzohydrazide is sourced from PubChem (CID 162213335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).