2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide

C22H26N2O4 — CID 87005089

IUPAC2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)COc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C22H26N2O4/c1-2-13-27-19-10-8-17(9-11-19)15-23-21(25)16-28-20-6-3-5-18(14-20)24-12-4-7-22(24)26/h3,5-6,8-11,14H,2,4,7,12-13,15-16H2,1H3,(H,23,25)
InChIKeyKFQDHATYTDNNDC-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.30
Rot. Bonds9

About 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide

2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide (PubChem CID 87005089) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide
PubChem CID87005089
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)COc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C22H26N2O4/c1-2-13-27-19-10-8-17(9-11-19)15-23-21(25)16-28-20-6-3-5-18(14-20)24-12-4-7-22(24)26/h3,5-6,8-11,14H,2,4,7,12-13,15-16H2,1H3,(H,23,25)
InChIKeyKFQDHATYTDNNDC-UHFFFAOYSA-N
XLogP3.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18154204
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
2-(4-tert-butylphenoxy)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39517699
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
CID 46490538
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
4-[[[2-(4-propoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45426481
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 27554751
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 47014571
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 34236405
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide (CID 87005089) is 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide is CCCOc1ccc(CNC(=O)COc2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide?
The InChIKey is KFQDHATYTDNNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-2-13-27-19-10-8-17(9-11-19)15-23-21(25)16-28-20-6-3-5-18(14-20)24-12-4-7-22(24)26/h3,5-6,8-11,14H,2,4,7,12-13,15-16H2,1H3,(H,23,25).
What are the key properties of 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide?
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 87005089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).