N'-butyl-3,4-diethoxybenzohydrazide

C15H24N2O3 — CID 118418496

IUPACN'-butyl-3,4-diethoxybenzohydrazide
SMILESCCCCNNC(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H24N2O3/c1-4-7-10-16-17-15(18)12-8-9-13(19-5-2)14(11-12)20-6-3/h8-9,11,16H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyWSFDLHHIYJEKQK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.52
Rot. Bonds9

About N'-butyl-3,4-diethoxybenzohydrazide

N'-butyl-3,4-diethoxybenzohydrazide (PubChem CID 118418496) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N'-butyl-3,4-diethoxybenzohydrazide.

Molecular Properties

Compound NameN'-butyl-3,4-diethoxybenzohydrazide
PubChem CID118418496
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN'-butyl-3,4-diethoxybenzohydrazide
SMILESCCCCNNC(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H24N2O3/c1-4-7-10-16-17-15(18)12-8-9-13(19-5-2)14(11-12)20-6-3/h8-9,11,16H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyWSFDLHHIYJEKQK-UHFFFAOYSA-N
XLogP2.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-Methoxybenzohydrazide
CID 76792
3,4-Dimethoxybenzamide
CID 73705
2,3-Dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
3,4,5-Trimethoxybenzohydrazide
CID 76793
m-Anisohydrazide
CID 79848
N'-butyl-4-methoxybenzohydrazide
CID 71306436
N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide
CID 2083285
3,4-Dimethoxy-N'-(2-methyl-3-phenyl-2-propenylidene)benzohydrazide
CID 5411894
1,3-Benzodioxole-5-carboxylic acid, hydrazide
CID 89158
4-Ethoxybenzhydrazide
CID 143561
2-(3,4-Dimethoxyphenyl)acetohydrazide
CID 282482
4-Hydroxy-3-methoxybenzohydrazide
CID 468601

Frequently Asked Questions

What is the IUPAC name of N'-butyl-3,4-diethoxybenzohydrazide?
The IUPAC name of N'-butyl-3,4-diethoxybenzohydrazide (CID 118418496) is N'-butyl-3,4-diethoxybenzohydrazide.
What is the SMILES notation for N'-butyl-3,4-diethoxybenzohydrazide?
The canonical SMILES for N'-butyl-3,4-diethoxybenzohydrazide is CCCCNNC(=O)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of N'-butyl-3,4-diethoxybenzohydrazide?
The InChIKey is WSFDLHHIYJEKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-7-10-16-17-15(18)12-8-9-13(19-5-2)14(11-12)20-6-3/h8-9,11,16H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of N'-butyl-3,4-diethoxybenzohydrazide?
N'-butyl-3,4-diethoxybenzohydrazide has a molecular weight of 280.37 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-3,4-diethoxybenzohydrazide is sourced from PubChem (CID 118418496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).