3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide

C29H26N2O2 — CID 43877741

IUPAC3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C29H26N2O2/c1-21(22-12-5-2-6-13-22)30-28(32)25-18-11-19-26(20-25)31-29(33)27(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-21,27H,1H3,(H,30,32)(H,31,33)
InChIKeyOYHKDDWLGPGBQI-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.95
Rot. Bonds7

About 3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide

3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide (PubChem CID 43877741) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
PubChem CID43877741
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C29H26N2O2/c1-21(22-12-5-2-6-13-22)30-28(32)25-18-11-19-26(20-25)31-29(33)27(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-21,27H,1H3,(H,30,32)(H,31,33)
InChIKeyOYHKDDWLGPGBQI-UHFFFAOYSA-N
XLogP5.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-(2-phenoxypropanoylamino)-N-(1-phenylethyl)benzamide
CID 43877796
2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43877730
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
3-(2-methylpropanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide
CID 43878011
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
3-[(3-nitrobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 40740169
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55728026
1-N-(3,5-dimethylphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054462
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide (CID 43877741) is 3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of 3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide?
The InChIKey is OYHKDDWLGPGBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-21(22-12-5-2-6-13-22)30-28(32)25-18-11-19-26(20-25)31-29(33)27(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-21,27H,1H3,(H,30,32)(H,31,33).
What are the key properties of 3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide?
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide has a molecular weight of 434.54 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 43877741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).