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

C17H17N3O — CID 109007773

IUPAC2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CNc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-2-20(15-9-4-3-5-10-15)17(21)13-19-16-11-7-6-8-14(16)12-18/h3-11,19H,2,13H2,1H3
InChIKeyNFOPQPCMQDFEKS-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.02
Rot. Bonds5

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

2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide (PubChem CID 109007773) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide
PubChem CID109007773
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CNc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-2-20(15-9-4-3-5-10-15)17(21)13-19-16-11-7-6-8-14(16)12-18/h3-11,19H,2,13H2,1H3
InChIKeyNFOPQPCMQDFEKS-UHFFFAOYSA-N
XLogP3.02
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28580926
2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide
CID 34067816
3-(2-cyanoanilino)-N,N-diethylpropanamide
CID 54935351
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-2-[2-(2-methylprop-2-enoxy)anilino]-N-phenylacetamide
CID 54826257
N-ethyl-N-phenyl-2-(quinolin-8-ylamino)acetamide
CID 109007764
N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide
CID 132939036
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
N-ethyl-2-(4-iodoanilino)-N-phenylacetamide
CID 54812345
2-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263468
3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60537383
5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 47077810

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide (CID 109007773) is 2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide is CCN(C(=O)CNc1ccccc1C#N)c1ccccc1.
What is the InChIKey of 2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide?
The InChIKey is NFOPQPCMQDFEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-20(15-9-4-3-5-10-15)17(21)13-19-16-11-7-6-8-14(16)12-18/h3-11,19H,2,13H2,1H3.
What are the key properties of 2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide?
2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide has a molecular weight of 279.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 109007773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).