N-butyl-2-hydrazinyl-N,5-dimethylbenzamide

C13H21N3O — CID 62510784

IUPACN-butyl-2-hydrazinyl-N,5-dimethylbenzamide
SMILESCCCCN(C)C(=O)c1cc(C)ccc1NN
InChIInChI=1S/C13H21N3O/c1-4-5-8-16(3)13(17)11-9-10(2)6-7-12(11)15-14/h6-7,9,15H,4-5,8,14H2,1-3H3
InChIKeyGOCXCGGUMIASCN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.15
Rot. Bonds5

About N-butyl-2-hydrazinyl-N,5-dimethylbenzamide

N-butyl-2-hydrazinyl-N,5-dimethylbenzamide (PubChem CID 62510784) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-butyl-2-hydrazinyl-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-butyl-2-hydrazinyl-N,5-dimethylbenzamide
PubChem CID62510784
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-butyl-2-hydrazinyl-N,5-dimethylbenzamide
SMILESCCCCN(C)C(=O)c1cc(C)ccc1NN
InChIInChI=1S/C13H21N3O/c1-4-5-8-16(3)13(17)11-9-10(2)6-7-12(11)15-14/h6-7,9,15H,4-5,8,14H2,1-3H3
InChIKeyGOCXCGGUMIASCN-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide
CID 63726038
2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 79385433
N-ethyl-2-(ethylamino)-N,5-dimethylbenzamide
CID 62511241
N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide
CID 62856101
2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62511147
N-(cyclopropylmethyl)-2-hydrazinyl-5-methyl-N-propylbenzamide
CID 62511311
2-(ethylamino)-N,5-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 81074127
2-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 62512507
4-N-butyl-1-N-(2,4-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048810
N-(3,5-dimethylphenyl)-2-hydrazinyl-N,5-dimethylbenzamide
CID 62512821
N-butyl-2-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide
CID 81112825
2-(ethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propylbenzamide
CID 62510294

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-hydrazinyl-N,5-dimethylbenzamide?
The IUPAC name of N-butyl-2-hydrazinyl-N,5-dimethylbenzamide (CID 62510784) is N-butyl-2-hydrazinyl-N,5-dimethylbenzamide.
What is the SMILES notation for N-butyl-2-hydrazinyl-N,5-dimethylbenzamide?
The canonical SMILES for N-butyl-2-hydrazinyl-N,5-dimethylbenzamide is CCCCN(C)C(=O)c1cc(C)ccc1NN.
What is the InChIKey of N-butyl-2-hydrazinyl-N,5-dimethylbenzamide?
The InChIKey is GOCXCGGUMIASCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-5-8-16(3)13(17)11-9-10(2)6-7-12(11)15-14/h6-7,9,15H,4-5,8,14H2,1-3H3.
What are the key properties of N-butyl-2-hydrazinyl-N,5-dimethylbenzamide?
N-butyl-2-hydrazinyl-N,5-dimethylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-hydrazinyl-N,5-dimethylbenzamide is sourced from PubChem (CID 62510784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).