2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide

C24H21N3O3 — CID 113177559

IUPAC2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c1-18(28)27(16-24(29)26-21-9-7-19(15-25)8-10-21)22-11-13-23(14-12-22)30-17-20-5-3-2-4-6-20/h2-14H,16-17H2,1H3,(H,26,29)
InChIKeyLVXIKTVKHOWPAB-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.13
Rot. Bonds7

About 2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide

2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide (PubChem CID 113177559) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide
PubChem CID113177559
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c1-18(28)27(16-24(29)26-21-9-7-19(15-25)8-10-21)22-11-13-23(14-12-22)30-17-20-5-3-2-4-6-20/h2-14H,16-17H2,1H3,(H,26,29)
InChIKeyLVXIKTVKHOWPAB-UHFFFAOYSA-N
XLogP4.13
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-3-methylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 113167614
2-(N-acetyl-4-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113181129
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 113175364
2-[acetyl(benzyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113161318
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113166215
2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113181116
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991
2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide
CID 113165933
2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide
CID 113181733
2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide
CID 113177543

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide (CID 113177559) is 2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide?
The InChIKey is LVXIKTVKHOWPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-18(28)27(16-24(29)26-21-9-7-19(15-25)8-10-21)22-11-13-23(14-12-22)30-17-20-5-3-2-4-6-20/h2-14H,16-17H2,1H3,(H,26,29).
What are the key properties of 2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide?
2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 113177559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).