N-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide

C30H28N2O2 — CID 10003801

IUPACN-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide
SMILESCC(=O)Nc1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H28N2O2/c1-22(33)31-27-19-17-23(18-20-27)21-28(24-11-5-2-6-12-24)32-30(34)29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28-29H,21H2,1H3,(H,31,33)(H,32,34)
InChIKeyLCSOXNKUFUMICN-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.88
Rot. Bonds8

About N-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide

N-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide (PubChem CID 10003801) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide
PubChem CID10003801
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC NameN-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide
SMILESCC(=O)Nc1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H28N2O2/c1-22(33)31-27-19-17-23(18-20-27)21-28(24-11-5-2-6-12-24)32-30(34)29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28-29H,21H2,1H3,(H,31,33)(H,32,34)
InChIKeyLCSOXNKUFUMICN-UHFFFAOYSA-N
XLogP5.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide (CID 10003801) is N-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide is CC(=O)Nc1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide?
The InChIKey is LCSOXNKUFUMICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2/c1-22(33)31-27-19-17-23(18-20-27)21-28(24-11-5-2-6-12-24)32-30(34)29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28-29H,21H2,1H3,(H,31,33)(H,32,34).
What are the key properties of N-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide?
N-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide has a molecular weight of 448.57 g/mol, XLogP of 5.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidophenyl)-1-phenylethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 10003801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).