2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide

C22H26N2O4 — CID 16919044

IUPAC2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCC2CC(=O)N(c3ccc(C)cc3)C2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-15-4-7-18(8-5-15)24-14-17(12-22(24)26)13-23-21(25)11-16-6-9-19(27-2)20(10-16)28-3/h4-10,17H,11-14H2,1-3H3,(H,23,25)
InChIKeyLBLXOCFSTCZHDI-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.72
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide (PubChem CID 16919044) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
PubChem CID16919044
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCC2CC(=O)N(c3ccc(C)cc3)C2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-15-4-7-18(8-5-15)24-14-17(12-22(24)26)13-23-21(25)11-16-6-9-19(27-2)20(10-16)28-3/h4-10,17H,11-14H2,1-3H3,(H,23,25)
InChIKeyLBLXOCFSTCZHDI-UHFFFAOYSA-N
XLogP2.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913389
2-(3-methylphenyl)-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40897451
3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 16919082
methyl N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 16919084
1-[(3,4-dimethoxyphenyl)methyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920106
3,5-dimethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918985
2-(4-methoxyphenoxy)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919033
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 40876664
2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40896977
1-[(3,4-dimethoxyphenyl)methyl]-3-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913085
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide
CID 40895927
N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 40897485

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide (CID 16919044) is 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide is COc1ccc(CC(=O)NCC2CC(=O)N(c3ccc(C)cc3)C2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The InChIKey is LBLXOCFSTCZHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-4-7-18(8-5-15)24-14-17(12-22(24)26)13-23-21(25)11-16-6-9-19(27-2)20(10-16)28-3/h4-10,17H,11-14H2,1-3H3,(H,23,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 16919044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).