N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide

C13H18N4O — CID 62248085

IUPACN-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide
SMILESCCN(CC(C)C#N)C(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H18N4O/c1-3-17(9-10(2)8-14)13(18)11-4-6-12(16-15)7-5-11/h4-7,10,16H,3,9,15H2,1-2H3
InChIKeyWPQZQKHHKVAUKZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.59
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide

N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide (PubChem CID 62248085) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide
PubChem CID62248085
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide
SMILESCCN(CC(C)C#N)C(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H18N4O/c1-3-17(9-10(2)8-14)13(18)11-4-6-12(16-15)7-5-11/h4-7,10,16H,3,9,15H2,1-2H3
InChIKeyWPQZQKHHKVAUKZ-UHFFFAOYSA-N
XLogP1.59
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.59
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'}

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Related Compounds

N-ethyl-4-hydrazinyl-N-(2-methylbutyl)benzamide
CID 79470275
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methylbenzamide
CID 54906117
N-(2-cyanopropyl)-N-ethyl-3,4-dihydroxybenzamide
CID 113358258
N-(2-cyanopropyl)-N-ethyl-3-hydrazinyl-4-nitrobenzamide
CID 62680537
4-[[[(2S)-2-cyanopropyl]-ethylcarbamoyl]amino]benzamide
CID 94205574
3-amino-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54906116
N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide
CID 94810071
N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide
CID 63213768
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide
CID 104782607
6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide
CID 115283254
3-bromo-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 103841866
N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide
CID 62247908

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide (CID 62248085) is N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide is CCN(CC(C)C#N)C(=O)c1ccc(NN)cc1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide?
The InChIKey is WPQZQKHHKVAUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-17(9-10(2)8-14)13(18)11-4-6-12(16-15)7-5-11/h4-7,10,16H,3,9,15H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide?
N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide has a molecular weight of 246.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide is sourced from PubChem (CID 62248085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).