2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide

C17H17N3O3 — CID 26437501

IUPAC2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-15-8-7-14(9-16(15)23-2)20-17(21)11-19-13-5-3-12(10-18)4-6-13/h3-9,19H,11H2,1-2H3,(H,20,21)
InChIKeyKTDHZPABAYZLJP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.63
Rot. Bonds6

About 2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide

2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 26437501) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID26437501
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-15-8-7-14(9-16(15)23-2)20-17(21)11-19-13-5-3-12(10-18)4-6-13/h3-9,19H,11H2,1-2H3,(H,20,21)
InChIKeyKTDHZPABAYZLJP-UHFFFAOYSA-N
XLogP2.63
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040577
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)acetamide
CID 37465407
2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507789
2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 86825970
methyl 2-[[2-(4-cyanoanilino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate
CID 9104203
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009646
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
CID 39381074

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide (CID 26437501) is 2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1OC.
What is the InChIKey of 2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is KTDHZPABAYZLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-15-8-7-14(9-16(15)23-2)20-17(21)11-19-13-5-3-12(10-18)4-6-13/h3-9,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide?
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 26437501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).