3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

C25H27N3O3 — CID 54842146

IUPAC3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCOc1ccc(NC(=O)CNc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C25H27N3O3/c1-3-31-23-14-12-21(13-15-23)28-24(29)17-26-22-11-7-10-20(16-22)25(30)27-18(2)19-8-5-4-6-9-19/h4-16,18,26H,3,17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyGEXNAMKFDTWLBA-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.63
Rot. Bonds9

About 3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54842146) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54842146
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCOc1ccc(NC(=O)CNc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C25H27N3O3/c1-3-31-23-14-12-21(13-15-23)28-24(29)17-26-22-11-7-10-20(16-22)25(30)27-18(2)19-8-5-4-6-9-19/h4-16,18,26H,3,17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyGEXNAMKFDTWLBA-UHFFFAOYSA-N
XLogP4.63
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842100
4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825206
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54833812
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842173
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54811072
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide
CID 54841841
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836161

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (CID 54842146) is 3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is CCOc1ccc(NC(=O)CNc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1.
What is the InChIKey of 3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is GEXNAMKFDTWLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-3-31-23-14-12-21(13-15-23)28-24(29)17-26-22-11-7-10-20(16-22)25(30)27-18(2)19-8-5-4-6-9-19/h4-16,18,26H,3,17H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 4.63, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54842146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).