2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide

C17H17N3O — CID 26438618

IUPAC2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2cccc(C#N)c2)cc1
InChIInChI=1S/C17H17N3O/c1-13-5-7-14(8-6-13)11-20-17(21)12-19-16-4-2-3-15(9-16)10-18/h2-9,19H,11-12H2,1H3,(H,20,21)
InChIKeyRYWHXGBQUPPQBZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.60
Rot. Bonds5

About 2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide

2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 26438618) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID26438618
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2cccc(C#N)c2)cc1
InChIInChI=1S/C17H17N3O/c1-13-5-7-14(8-6-13)11-20-17(21)12-19-16-4-2-3-15(9-16)10-18/h2-9,19H,11-12H2,1H3,(H,20,21)
InChIKeyRYWHXGBQUPPQBZ-UHFFFAOYSA-N
XLogP2.60
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide
CID 26438582
N-[(4-methylphenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814826
2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
3-[[2-(4-methylphenyl)-2-oxoethyl]amino]benzonitrile
CID 82119294
N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814812
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814822
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26437601
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999782
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide
CID 109008815

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide (CID 26438618) is 2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CNc2cccc(C#N)c2)cc1.
What is the InChIKey of 2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is RYWHXGBQUPPQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-5-7-14(8-6-13)11-20-17(21)12-19-16-4-2-3-15(9-16)10-18/h2-9,19H,11-12H2,1H3,(H,20,21).
What are the key properties of 2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide?
2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 26438618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).