3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide

C22H26N2O3 — CID 16919082

IUPAC3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-3-8-19(9-4-16)24-15-18(13-22(24)26)14-23-21(25)12-7-17-5-10-20(27-2)11-6-17/h3-6,8-11,18H,7,12-15H2,1-2H3,(H,23,25)
InChIKeyHHWOKDNCKCHCGL-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.11
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide

3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide (PubChem CID 16919082) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
PubChem CID16919082
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-3-8-19(9-4-16)24-15-18(13-22(24)26)14-23-21(25)12-7-17-5-10-20(27-2)11-6-17/h3-6,8-11,18H,7,12-15H2,1-2H3,(H,23,25)
InChIKeyHHWOKDNCKCHCGL-UHFFFAOYSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 16918778
2-(4-methoxyphenoxy)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919033
N-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 16919234
3-(4-methoxyphenyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7255066
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 40876664
1-[2-(4-methoxyphenyl)ethyl]-3-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16919999
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919044
2-(4-ethoxyphenoxy)-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16918426
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 16918577
methyl N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 16919084
2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40896977
3,5-dimethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918985

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide (CID 16919082) is 3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide is COc1ccc(CCC(=O)NCC2CC(=O)N(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide?
The InChIKey is HHWOKDNCKCHCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-3-8-19(9-4-16)24-15-18(13-22(24)26)14-23-21(25)12-7-17-5-10-20(27-2)11-6-17/h3-6,8-11,18H,7,12-15H2,1-2H3,(H,23,25).
What are the key properties of 3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide?
3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 16919082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).