N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide

C17H17N3O2 — CID 9102058

IUPACN-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
SMILESCCOc1ccccc1NCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H17N3O2/c1-2-22-16-9-4-3-8-15(16)19-12-17(21)20-14-7-5-6-13(10-14)11-18/h3-10,19H,2,12H2,1H3,(H,20,21)
InChIKeyAMQYNOMXLLDBMV-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.01
Rot. Bonds6

About N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide

N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide (PubChem CID 9102058) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
PubChem CID9102058
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
SMILESCCOc1ccccc1NCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H17N3O2/c1-2-22-16-9-4-3-8-15(16)19-12-17(21)20-14-7-5-6-13(10-14)11-18/h3-10,19H,2,12H2,1H3,(H,20,21)
InChIKeyAMQYNOMXLLDBMV-UHFFFAOYSA-N
XLogP3.01
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817227
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272266
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54817487
3-[[2-(2-ethoxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29458921
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate
CID 26438599
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
2-(3-cyanophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 2591399
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109358999

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide (CID 9102058) is N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide is CCOc1ccccc1NCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide?
The InChIKey is AMQYNOMXLLDBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-22-16-9-4-3-8-15(16)19-12-17(21)20-14-7-5-6-13(10-14)11-18/h3-10,19H,2,12H2,1H3,(H,20,21).
What are the key properties of N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide?
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide has a molecular weight of 295.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide is sourced from PubChem (CID 9102058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).