4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide

C17H17N3O — CID 60962959

IUPAC4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1ccccc1C#N)C(=O)c1ccc(N)cc1
InChIInChI=1S/C17H17N3O/c1-2-20(12-15-6-4-3-5-14(15)11-18)17(21)13-7-9-16(19)10-8-13/h3-10H,2,12,19H2,1H3
InChIKeyOCALCNYLPABWHS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.80
Rot. Bonds4

About 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide

4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide (PubChem CID 60962959) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
PubChem CID60962959
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1ccccc1C#N)C(=O)c1ccc(N)cc1
InChIInChI=1S/C17H17N3O/c1-2-20(12-15-6-4-3-5-14(15)11-18)17(21)13-7-9-16(19)10-8-13/h3-10H,2,12,19H2,1H3
InChIKeyOCALCNYLPABWHS-UHFFFAOYSA-N
XLogP2.80
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.80
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

ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
CID 61355544
N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
CID 47355649
2-chloro-N-[(2-cyanophenyl)methyl]-N-ethylpropanamide
CID 54875994
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
CID 43459287
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 60963774
5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 82011067
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide
CID 79287312
(2S)-N-[(2-cyanophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 104913445
2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide
CID 115286741
4-amino-N-(2-cyanophenyl)-N-methylbenzamide
CID 54296865

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide?
The IUPAC name of 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide (CID 60962959) is 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide?
The canonical SMILES for 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide is CCN(Cc1ccccc1C#N)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide?
The InChIKey is OCALCNYLPABWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-20(12-15-6-4-3-5-14(15)11-18)17(21)13-7-9-16(19)10-8-13/h3-10H,2,12,19H2,1H3.
What are the key properties of 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide?
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide is sourced from PubChem (CID 60962959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).