N-(2-aminoethyl)-4-cyano-N-methylbenzamide

C11H13N3O — CID 62681129

IUPACN-(2-aminoethyl)-4-cyano-N-methylbenzamide
SMILESCN(CCN)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C11H13N3O/c1-14(7-6-12)11(15)10-4-2-9(8-13)3-5-10/h2-5H,6-7,12H2,1H3
InChIKeyIJIOJKXBVAAODU-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.59
Rot. Bonds3

About N-(2-aminoethyl)-4-cyano-N-methylbenzamide

N-(2-aminoethyl)-4-cyano-N-methylbenzamide (PubChem CID 62681129) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-cyano-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-cyano-N-methylbenzamide
PubChem CID62681129
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-(2-aminoethyl)-4-cyano-N-methylbenzamide
SMILESCN(CCN)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C11H13N3O/c1-14(7-6-12)11(15)10-4-2-9(8-13)3-5-10/h2-5H,6-7,12H2,1H3
InChIKeyIJIOJKXBVAAODU-UHFFFAOYSA-N
XLogP0.59
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-methylbenzamide
CID 28707416
4-cyano-N-(2-cyanopropyl)-N-methylbenzamide
CID 47205390
4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9475425
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63960210
N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide
CID 109061458
1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048122
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide
CID 83969270
4-[[(4-cyanobenzoyl)-methylamino]methyl]piperidine-1-carboxylic acid
CID 141379176

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-cyano-N-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-4-cyano-N-methylbenzamide (CID 62681129) is N-(2-aminoethyl)-4-cyano-N-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-cyano-N-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-4-cyano-N-methylbenzamide is CN(CCN)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-cyano-N-methylbenzamide?
The InChIKey is IJIOJKXBVAAODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14(7-6-12)11(15)10-4-2-9(8-13)3-5-10/h2-5H,6-7,12H2,1H3.
What are the key properties of N-(2-aminoethyl)-4-cyano-N-methylbenzamide?
N-(2-aminoethyl)-4-cyano-N-methylbenzamide has a molecular weight of 203.25 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-cyano-N-methylbenzamide is sourced from PubChem (CID 62681129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).