N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide

C13H22N4O — CID 63726038

IUPACN-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide
SMILESCc1ccc(NN)c(C(=O)N(C)CCN(C)C)c1
InChIInChI=1S/C13H22N4O/c1-10-5-6-12(15-14)11(9-10)13(18)17(4)8-7-16(2)3/h5-6,9,15H,7-8,14H2,1-4H3
InChIKeyYAFKHQVYULFUOF-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.91
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide

N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide (PubChem CID 63726038) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide
PubChem CID63726038
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide
SMILESCc1ccc(NN)c(C(=O)N(C)CCN(C)C)c1
InChIInChI=1S/C13H22N4O/c1-10-5-6-12(15-14)11(9-10)13(18)17(4)8-7-16(2)3/h5-6,9,15H,7-8,14H2,1-4H3
InChIKeyYAFKHQVYULFUOF-UHFFFAOYSA-N
XLogP0.91
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide 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-2-hydrazinyl-N,5-dimethylbenzamide
CID 62510784
2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 79385433
N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide
CID 62856101
2-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 62512507
N-(3,5-dimethylphenyl)-2-hydrazinyl-N,5-dimethylbenzamide
CID 62512821
N-[2-(dimethylamino)ethyl]-2-methoxy-N,4-dimethylbenzamide
CID 58484242
N-ethyl-2-(ethylamino)-N,5-dimethylbenzamide
CID 62511241
N-cyclopentyl-2-hydrazinyl-N,5-dimethylbenzamide
CID 62513481
5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 62236200
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 63726381
N-(cyclopropylmethyl)-2-hydrazinyl-5-methyl-N-propylbenzamide
CID 62511311
2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62511147

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide (CID 63726038) is N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide is Cc1ccc(NN)c(C(=O)N(C)CCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide?
The InChIKey is YAFKHQVYULFUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-5-6-12(15-14)11(9-10)13(18)17(4)8-7-16(2)3/h5-6,9,15H,7-8,14H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide?
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide has a molecular weight of 250.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide is sourced from PubChem (CID 63726038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).