2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C21H23N3O2 — CID 113180931

IUPAC2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)c1cccc(C#N)c1
InChIInChI=1S/C21H23N3O2/c1-14(2)19-10-5-7-15(3)21(19)23-20(26)13-24(16(4)25)18-9-6-8-17(11-18)12-22/h5-11,14H,13H2,1-4H3,(H,23,26)
InChIKeyTWURGXJSZMLDMT-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.98
Rot. Bonds5

About 2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 113180931) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID113180931
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)c1cccc(C#N)c1
InChIInChI=1S/C21H23N3O2/c1-14(2)19-10-5-7-15(3)21(19)23-20(26)13-24(16(4)25)18-9-6-8-17(11-18)12-22/h5-11,14H,13H2,1-4H3,(H,23,26)
InChIKeyTWURGXJSZMLDMT-UHFFFAOYSA-N
XLogP3.98
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113167564
2-(N,3-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175474
2-(N-acetyl-3,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113179490
2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
CID 113180930
2-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175648
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113174441
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113181475
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113169502
2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113180955
N-(4-cyanophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954616

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 113180931) is 2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)c1cccc(C#N)c1.
What is the InChIKey of 2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is TWURGXJSZMLDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)19-10-5-7-15(3)21(19)23-20(26)13-24(16(4)25)18-9-6-8-17(11-18)12-22/h5-11,14H,13H2,1-4H3,(H,23,26).
What are the key properties of 2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113180931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).