N'-butyl-4-(dimethylamino)benzohydrazide

C13H21N3O — CID 71306440

IUPACN'-butyl-4-(dimethylamino)benzohydrazide
SMILESCCCCNNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-4-5-10-14-15-13(17)11-6-8-12(9-7-11)16(2)3/h6-9,14H,4-5,10H2,1-3H3,(H,15,17)
InChIKeyGBPRHUHCZVADPX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.79
Rot. Bonds6

About N'-butyl-4-(dimethylamino)benzohydrazide

N'-butyl-4-(dimethylamino)benzohydrazide (PubChem CID 71306440) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N'-butyl-4-(dimethylamino)benzohydrazide.

Molecular Properties

Compound NameN'-butyl-4-(dimethylamino)benzohydrazide
PubChem CID71306440
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN'-butyl-4-(dimethylamino)benzohydrazide
SMILESCCCCNNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-4-5-10-14-15-13(17)11-6-8-12(9-7-11)16(2)3/h6-9,14H,4-5,10H2,1-3H3,(H,15,17)
InChIKeyGBPRHUHCZVADPX-UHFFFAOYSA-N
XLogP1.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-(dimethylamino)benzohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-butyl-4-(dimethylamino)benzohydrazide?
The IUPAC name of N'-butyl-4-(dimethylamino)benzohydrazide (CID 71306440) is N'-butyl-4-(dimethylamino)benzohydrazide.
What is the SMILES notation for N'-butyl-4-(dimethylamino)benzohydrazide?
The canonical SMILES for N'-butyl-4-(dimethylamino)benzohydrazide is CCCCNNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of N'-butyl-4-(dimethylamino)benzohydrazide?
The InChIKey is GBPRHUHCZVADPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-5-10-14-15-13(17)11-6-8-12(9-7-11)16(2)3/h6-9,14H,4-5,10H2,1-3H3,(H,15,17).
What are the key properties of N'-butyl-4-(dimethylamino)benzohydrazide?
N'-butyl-4-(dimethylamino)benzohydrazide has a molecular weight of 235.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-4-(dimethylamino)benzohydrazide is sourced from PubChem (CID 71306440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).