3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide

C24H24N4O3 — CID 54842211

IUPAC3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCC(NC(=O)c1cccc(NCC(=O)Nc2cccc(C(N)=O)c2)c1)c1ccccc1
InChIInChI=1S/C24H24N4O3/c1-16(17-7-3-2-4-8-17)27-24(31)19-10-6-11-20(14-19)26-15-22(29)28-21-12-5-9-18(13-21)23(25)30/h2-14,16,26H,15H2,1H3,(H2,25,30)(H,27,31)(H,28,29)
InChIKeySGNDKKWRWFRAGO-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.33
Rot. Bonds8

About 3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide

3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54842211) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54842211
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCC(NC(=O)c1cccc(NCC(=O)Nc2cccc(C(N)=O)c2)c1)c1ccccc1
InChIInChI=1S/C24H24N4O3/c1-16(17-7-3-2-4-8-17)27-24(31)19-10-6-11-20(14-19)26-15-22(29)28-21-12-5-9-18(13-21)23(25)30/h2-14,16,26H,15H2,1H3,(H2,25,30)(H,27,31)(H,28,29)
InChIKeySGNDKKWRWFRAGO-UHFFFAOYSA-N
XLogP3.33
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54833812
N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811860
3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54842058
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843624
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054
3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842146
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54841883
N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836161
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54811009

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54842211) is 3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide is CC(NC(=O)c1cccc(NCC(=O)Nc2cccc(C(N)=O)c2)c1)c1ccccc1.
What is the InChIKey of 3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is SGNDKKWRWFRAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16(17-7-3-2-4-8-17)27-24(31)19-10-6-11-20(14-19)26-15-22(29)28-21-12-5-9-18(13-21)23(25)30/h2-14,16,26H,15H2,1H3,(H2,25,30)(H,27,31)(H,28,29).
What are the key properties of 3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide?
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 416.48 g/mol, XLogP of 3.33, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54842211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).