3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide

C25H26N2O2 — CID 46466164

IUPAC3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide
SMILESCCc1ccc(CCC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O2/c1-2-19-11-13-20(14-12-19)15-16-24(28)26-18-21-7-6-8-22(17-21)25(29)27-23-9-4-3-5-10-23/h3-14,17H,2,15-16,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyOFEKUHBUPGIUPM-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.75
Rot. Bonds8

About 3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide

3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide (PubChem CID 46466164) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide
PubChem CID46466164
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide
SMILESCCc1ccc(CCC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O2/c1-2-19-11-13-20(14-12-19)15-16-24(28)26-18-21-7-6-8-22(17-21)25(29)27-23-9-4-3-5-10-23/h3-14,17H,2,15-16,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyOFEKUHBUPGIUPM-UHFFFAOYSA-N
XLogP4.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide
CID 46466173
N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
CID 47043715
N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 46420384
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide
CID 55768894
ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate
CID 47056940
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide
CID 20667039
3-[[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]methyl]-N-phenylbenzamide
CID 46466168
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
[3-[[3-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929247
N-(4-ethylphenyl)benzamide
CID 774063
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide?
The IUPAC name of 3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide (CID 46466164) is 3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide is CCc1ccc(CCC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of 3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide?
The InChIKey is OFEKUHBUPGIUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-2-19-11-13-20(14-12-19)15-16-24(28)26-18-21-7-6-8-22(17-21)25(29)27-23-9-4-3-5-10-23/h3-14,17H,2,15-16,18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide?
3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide has a molecular weight of 386.50 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 46466164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).