5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide

C14H19N3O — CID 102705262

IUPAC5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
SMILESCCN(CCC#N)C(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C14H19N3O/c1-4-17(7-5-6-15)14(18)12-9-13(16)11(3)8-10(12)2/h8-9H,4-5,7,16H2,1-3H3
InChIKeyOQWPYZMYZMAQJZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.26
Rot. Bonds4

About 5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide

5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide (PubChem CID 102705262) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
PubChem CID102705262
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
SMILESCCN(CCC#N)C(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C14H19N3O/c1-4-17(7-5-6-15)14(18)12-9-13(16)11(3)8-10(12)2/h8-9H,4-5,7,16H2,1-3H3
InChIKeyOQWPYZMYZMAQJZ-UHFFFAOYSA-N
XLogP2.26
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide
CID 63047743
3-amino-2-bromo-N-(2-cyanoethyl)-N-ethylbenzamide
CID 113366975
N-(2-cyanoethyl)-N-ethyl-2-methyl-5-nitrobenzamide
CID 54992866
2-amino-N-(2-cyanoethyl)-N-ethyl-4-methoxybenzamide
CID 113305145
N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide
CID 51180457
N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503533
5-bromo-N-(2-cyanoethyl)-N-ethyl-2-fluorobenzamide
CID 60955236
2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
CID 62161601
5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide
CID 102705085
5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide
CID 102705822
4-amino-N-(2-cyanoethyl)-N-ethyl-3-nitrobenzamide
CID 62161602
2-amino-5-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 61114600

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide (CID 102705262) is 5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide is CCN(CCC#N)C(=O)c1cc(N)c(C)cc1C.
What is the InChIKey of 5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide?
The InChIKey is OQWPYZMYZMAQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-17(7-5-6-15)14(18)12-9-13(16)11(3)8-10(12)2/h8-9H,4-5,7,16H2,1-3H3.
What are the key properties of 5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide?
5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide has a molecular weight of 245.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide is sourced from PubChem (CID 102705262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).