3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide

C24H22N2O3 — CID 109055307

IUPAC3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCc3ccccc3)c2)c1
InChIInChI=1S/C24H22N2O3/c1-17(27)19-9-6-12-22(16-19)26-24(29)21-11-5-10-20(15-21)23(28)25-14-13-18-7-3-2-4-8-18/h2-12,15-16H,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyNEEXOEOWAOZMRK-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.11
Rot. Bonds7

About 3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide

3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 109055307) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID109055307
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCc3ccccc3)c2)c1
InChIInChI=1S/C24H22N2O3/c1-17(27)19-9-6-12-22(16-19)26-24(29)21-11-5-10-20(15-21)23(28)25-14-13-18-7-3-2-4-8-18/h2-12,15-16H,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyNEEXOEOWAOZMRK-UHFFFAOYSA-N
XLogP4.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239
3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053236
N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106204
3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055274
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
N-benzyl-3-(2-phenylethylcarbamothioylamino)benzamide
CID 17023803
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
5-N-(3-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106241
N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024328
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide (CID 109055307) is 3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCc3ccccc3)c2)c1.
What is the InChIKey of 3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is NEEXOEOWAOZMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-17(27)19-9-6-12-22(16-19)26-24(29)21-11-5-10-20(15-21)23(28)25-14-13-18-7-3-2-4-8-18/h2-12,15-16H,13-14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).