2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide

C21H23N3O2 — CID 113180933

IUPAC2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1
InChIInChI=1S/C21H23N3O2/c1-15(25)24(19-7-5-6-16(12-19)13-22)14-20(26)23-18-10-8-17(9-11-18)21(2,3)4/h5-12H,14H2,1-4H3,(H,23,26)
InChIKeyKDTOTNPYNJFRIT-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.85
Rot. Bonds4

About 2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide

2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide (PubChem CID 113180933) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
PubChem CID113180933
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1
InChIInChI=1S/C21H23N3O2/c1-15(25)24(19-7-5-6-16(12-19)13-22)14-20(26)23-18-10-8-17(9-11-18)21(2,3)4/h5-12H,14H2,1-4H3,(H,23,26)
InChIKeyKDTOTNPYNJFRIT-UHFFFAOYSA-N
XLogP3.85
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113181129
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113180974
2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide
CID 113173405
methyl 3-[acetyl-[2-(4-tert-butylanilino)-2-oxoethyl]amino]benzoate
CID 113176285
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
CID 113180930
methyl 3-[acetyl-[2-(4-cyanoanilino)-2-oxoethyl]amino]benzoate
CID 113176339
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 113175364
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide
CID 113176810
2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113181013
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide (CID 113180933) is 2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1.
What is the InChIKey of 2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide?
The InChIKey is KDTOTNPYNJFRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(25)24(19-7-5-6-16(12-19)13-22)14-20(26)23-18-10-8-17(9-11-18)21(2,3)4/h5-12H,14H2,1-4H3,(H,23,26).
What are the key properties of 2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide?
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.85, 4 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-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 113180933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).