2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide

C17H17N3O — CID 107804495

IUPAC2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNc2cccc(C)c2C#N)c1
InChIInChI=1S/C17H17N3O/c1-12-5-3-7-14(9-12)20-17(21)11-19-16-8-4-6-13(2)15(16)10-18/h3-9,19H,11H2,1-2H3,(H,20,21)
InChIKeyAOAKYIWCWOUWGA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide

2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide (PubChem CID 107804495) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide
PubChem CID107804495
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNc2cccc(C)c2C#N)c1
InChIInChI=1S/C17H17N3O/c1-12-5-3-7-14(9-12)20-17(21)11-19-16-8-4-6-13(2)15(16)10-18/h3-9,19H,11H2,1-2H3,(H,20,21)
InChIKeyAOAKYIWCWOUWGA-UHFFFAOYSA-N
XLogP3.23
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide
CID 107804330
N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide
CID 107804329
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
methyl 2-(2-cyano-3-methylanilino)acetate
CID 107799414
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 107592106
2-(4-methoxy-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62872071
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylphenyl)acetamide
CID 22424061
2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 103843058
N-[4-(cyanomethyl)phenyl]-2-(3-methylanilino)acetamide
CID 51202790

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide (CID 107804495) is 2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNc2cccc(C)c2C#N)c1.
What is the InChIKey of 2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is AOAKYIWCWOUWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-5-3-7-14(9-12)20-17(21)11-19-16-8-4-6-13(2)15(16)10-18/h3-9,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide?
2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 107804495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).