2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide

C19H19N3O3 — CID 113180757

IUPAC2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C(C)=O)c2ccccc2C#N)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-17-10-8-16(9-11-17)21-19(24)13-22(14(2)23)18-7-5-4-6-15(18)12-20/h4-11H,3,13H2,1-2H3,(H,21,24)
InChIKeyYIBHEIKVLZUPQF-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.95
Rot. Bonds6

About 2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide

2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide (PubChem CID 113180757) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide
PubChem CID113180757
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C(C)=O)c2ccccc2C#N)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-17-10-8-16(9-11-17)21-19(24)13-22(14(2)23)18-7-5-4-6-15(18)12-20/h4-11H,3,13H2,1-2H3,(H,21,24)
InChIKeyYIBHEIKVLZUPQF-UHFFFAOYSA-N
XLogP2.95
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide
CID 113180714
2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113180763
N-(4-acetamidophenyl)-2-(N-acetyl-2-ethoxyanilino)acetamide
CID 113173812
2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991
2-(N-acetyl-2,6-dichloroanilino)-N-(4-ethoxyphenyl)acetamide
CID 113180044
methyl 2-[acetyl-[2-(4-cyanoanilino)-2-oxoethyl]amino]benzoate
CID 113176183
2-(N-acetyl-2-cyanoanilino)-N-(2-chlorophenyl)acetamide
CID 113180740
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
CID 113180480
2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide
CID 113177559
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318132
2-[(2-cyanophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 9410662
2-(N-acetyl-2-methylanilino)-N-(4-phenoxyphenyl)acetamide
CID 113167416

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide (CID 113180757) is 2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(C(C)=O)c2ccccc2C#N)cc1.
What is the InChIKey of 2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is YIBHEIKVLZUPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-25-17-10-8-16(9-11-17)21-19(24)13-22(14(2)23)18-7-5-4-6-15(18)12-20/h4-11H,3,13H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide?
2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 113180757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).