4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide

C25H26N2O4 — CID 1189596

IUPAC4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
SMILESCCOc1ccc(NC(=O)COc2ccc(C(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-30-22-14-10-21(11-15-22)27-24(28)18-31-23-12-8-20(9-13-23)25(29)26-17-16-19-6-4-3-5-7-19/h3-15H,2,16-18H2,1H3,(H,26,29)(H,27,28)
InChIKeyFKCIXRPEALHSLB-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.08
Rot. Bonds10

About 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide

4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide (PubChem CID 1189596) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
PubChem CID1189596
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
SMILESCCOc1ccc(NC(=O)COc2ccc(C(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-30-22-14-10-21(11-15-22)27-24(28)18-31-23-12-8-20(9-13-23)25(29)26-17-16-19-6-4-3-5-7-19/h3-15H,2,16-18H2,1H3,(H,26,29)(H,27,28)
InChIKeyFKCIXRPEALHSLB-UHFFFAOYSA-N
XLogP4.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide (CID 1189596) is 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide is CCOc1ccc(NC(=O)COc2ccc(C(=O)NCCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide?
The InChIKey is FKCIXRPEALHSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-30-22-14-10-21(11-15-22)27-24(28)18-31-23-12-8-20(9-13-23)25(29)26-17-16-19-6-4-3-5-7-19/h3-15H,2,16-18H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide?
4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide has a molecular weight of 418.49 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 1189596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).