2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide

C19H19N5O — CID 42953959

IUPAC2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide
SMILESCCN(C(=O)Cn1nnc2ccccc21)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C19H19N5O/c1-3-23(14(2)16-10-8-15(12-20)9-11-16)19(25)13-24-18-7-5-4-6-17(18)21-22-24/h4-11,14H,3,13H2,1-2H3
InChIKeyFGRIVCRYSYMAJT-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.91
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide

2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide (PubChem CID 42953959) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide
PubChem CID42953959
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide
SMILESCCN(C(=O)Cn1nnc2ccccc21)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C19H19N5O/c1-3-23(14(2)16-10-8-15(12-20)9-11-16)19(25)13-24-18-7-5-4-6-17(18)21-22-24/h4-11,14H,3,13H2,1-2H3
InChIKeyFGRIVCRYSYMAJT-UHFFFAOYSA-N
XLogP2.91
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide
CID 166186034
N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide
CID 97099110
2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide
CID 55592102
2-[[2-(benzotriazol-1-yl)acetyl]-(1-phenylethyl)amino]-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
CID 3228334
[benzotriazol-1-yl-(4-cyanophenyl)methyl] acetate
CID 3791886
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethoxyanilino)-N-(3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 25455503
2-[4-[2-(benzotriazol-1-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447071
4-[benzotriazol-1-yl(phenyl)methyl]benzonitrile
CID 3409911
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethylanilino)-N-(3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 25455586
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(2-phenylethyl)amino]-2-(4-fluorophenyl)-N-(3-methylbutyl)acetamide
CID 25455728
2-[[2-(benzotriazol-1-yl)acetyl]-[2-(2-methylphenyl)ethyl]amino]-N-(3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 3195282

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide (CID 42953959) is 2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide is CCN(C(=O)Cn1nnc2ccccc21)C(C)c1ccc(C#N)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide?
The InChIKey is FGRIVCRYSYMAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-3-23(14(2)16-10-8-15(12-20)9-11-16)19(25)13-24-18-7-5-4-6-17(18)21-22-24/h4-11,14H,3,13H2,1-2H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide?
2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide has a molecular weight of 333.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide is sourced from PubChem (CID 42953959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).