N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide

C24H24N2O3 — CID 4881004

IUPACN-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide
SMILESCCOc1ccc(NC(C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-3-29-22-14-12-20(13-15-22)25-23(18-8-5-4-6-9-18)24(28)26-21-11-7-10-19(16-21)17(2)27/h4-16,23,25H,3H2,1-2H3,(H,26,28)
InChIKeyDAOJZHNNAVZHBT-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.08
Rot. Bonds8

About N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide

N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide (PubChem CID 4881004) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide
PubChem CID4881004
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide
SMILESCCOc1ccc(NC(C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-3-29-22-14-12-20(13-15-22)25-23(18-8-5-4-6-9-18)24(28)26-21-11-7-10-19(16-21)17(2)27/h4-16,23,25H,3H2,1-2H3,(H,26,28)
InChIKeyDAOJZHNNAVZHBT-UHFFFAOYSA-N
XLogP5.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide (CID 4881004) is N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide is CCOc1ccc(NC(C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide?
The InChIKey is DAOJZHNNAVZHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-3-29-22-14-12-20(13-15-22)25-23(18-8-5-4-6-9-18)24(28)26-21-11-7-10-19(16-21)17(2)27/h4-16,23,25H,3H2,1-2H3,(H,26,28).
What are the key properties of N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide?
N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide has a molecular weight of 388.47 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide is sourced from PubChem (CID 4881004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).