2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide

C24H21N3O2 — CID 113181175

IUPAC2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C24H21N3O2/c1-19(28)26(23-14-12-20(16-25)13-15-23)18-24(29)27(22-10-6-3-7-11-22)17-21-8-4-2-5-9-21/h2-15H,17-18H2,1H3
InChIKeyITVPDWPPRSAQCT-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.14
Rot. Bonds6

About 2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide

2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide (PubChem CID 113181175) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide
PubChem CID113181175
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C24H21N3O2/c1-19(28)26(23-14-12-20(16-25)13-15-23)18-24(29)27(22-10-6-3-7-11-22)17-21-8-4-2-5-9-21/h2-15H,17-18H2,1H3
InChIKeyITVPDWPPRSAQCT-UHFFFAOYSA-N
XLogP4.14
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 113180925
2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171250
N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide
CID 60617067
2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide
CID 113177559
2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 134045987
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide
CID 113161511
2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
CID 113172989
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide
CID 113180655
2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113169817
3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
CID 113134868

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide?
The IUPAC name of 2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide (CID 113181175) is 2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide?
The canonical SMILES for 2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide is CC(=O)N(CC(=O)N(Cc1ccccc1)c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of 2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide?
The InChIKey is ITVPDWPPRSAQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-19(28)26(23-14-12-20(16-25)13-15-23)18-24(29)27(22-10-6-3-7-11-22)17-21-8-4-2-5-9-21/h2-15H,17-18H2,1H3.
What are the key properties of 2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide?
2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide has a molecular weight of 383.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide is sourced from PubChem (CID 113181175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).