2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide

C19H19N3O2 — CID 113180925

IUPAC2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(C(C)=O)c1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-3-21(17-9-5-4-6-10-17)19(24)14-22(15(2)23)18-11-7-8-16(12-18)13-20/h4-12H,3,14H2,1-2H3
InChIKeyAEYDMHZUXFTOML-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.96
Rot. Bonds5

About 2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide

2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide (PubChem CID 113180925) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide
PubChem CID113180925
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(C(C)=O)c1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-3-21(17-9-5-4-6-10-17)19(24)14-22(15(2)23)18-11-7-8-16(12-18)13-20/h4-12H,3,14H2,1-2H3
InChIKeyAEYDMHZUXFTOML-UHFFFAOYSA-N
XLogP2.96
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide
CID 121012223
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
CID 113134868
2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide
CID 113181175
2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
CID 113172989
2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
CID 113180930
N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113180842
3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113135183
N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113180832
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113180933
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
tris(N-(3-cyanophenyl)-N-hydroxyacetamide);hydrate
CID 71328508

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide (CID 113180925) is 2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide is CCN(C(=O)CN(C(C)=O)c1cccc(C#N)c1)c1ccccc1.
What is the InChIKey of 2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide?
The InChIKey is AEYDMHZUXFTOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-21(17-9-5-4-6-10-17)19(24)14-22(15(2)23)18-11-7-8-16(12-18)13-20/h4-12H,3,14H2,1-2H3.
What are the key properties of 2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide?
2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide has a molecular weight of 321.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 113180925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).