2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide

C22H26N2O5 — CID 16918426

IUPAC2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCC2CC(=O)N(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C22H26N2O5/c1-3-28-19-8-10-20(11-9-19)29-15-21(25)23-13-16-12-22(26)24(14-16)17-4-6-18(27-2)7-5-17/h4-11,16H,3,12-15H2,1-2H3,(H,23,25)
InChIKeyNEVQVCRJTFIJGB-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.64
Rot. Bonds9

About 2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide

2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide (PubChem CID 16918426) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
PubChem CID16918426
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCC2CC(=O)N(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C22H26N2O5/c1-3-28-19-8-10-20(11-9-19)29-15-21(25)23-13-16-12-22(26)24(14-16)17-4-6-18(27-2)7-5-17/h4-11,16H,3,12-15H2,1-2H3,(H,23,25)
InChIKeyNEVQVCRJTFIJGB-UHFFFAOYSA-N
XLogP2.64
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 16918577
2-(4-methoxyphenoxy)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919033
2-ethoxy-N-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40876961
1-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 16920029
1-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 40913025
N-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-ethoxyphenoxy)acetamide
CID 40898099
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523
3-cyclopentyl-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 16918501
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 16918888
4-butoxy-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918373
3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 16919082
1-(3,4-dimethoxyphenyl)-3-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920030

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide (CID 16918426) is 2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide is CCOc1ccc(OCC(=O)NCC2CC(=O)N(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The InChIKey is NEVQVCRJTFIJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-28-19-8-10-20(11-9-19)29-15-21(25)23-13-16-12-22(26)24(14-16)17-4-6-18(27-2)7-5-17/h4-11,16H,3,12-15H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 16918426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).