3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

C22H26N2O3 — CID 100526543

IUPAC3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccc(N3CCCC3=O)c2)cc1C
InChIInChI=1S/C22H26N2O3/c1-16-13-17(8-10-20(16)27-2)9-11-21(25)23-15-18-5-3-6-19(14-18)24-12-4-7-22(24)26/h3,5-6,8,10,13-14H,4,7,9,11-12,15H2,1-2H3,(H,23,25)
InChIKeyJSQYWXBDVLNNBX-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.38
Rot. Bonds7

About 3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (PubChem CID 100526543) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
PubChem CID100526543
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccc(N3CCCC3=O)c2)cc1C
InChIInChI=1S/C22H26N2O3/c1-16-13-17(8-10-20(16)27-2)9-11-21(25)23-15-18-5-3-6-19(14-18)24-12-4-7-22(24)26/h3,5-6,8,10,13-14H,4,7,9,11-12,15H2,1-2H3,(H,23,25)
InChIKeyJSQYWXBDVLNNBX-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide with MolForge

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Related Compounds

3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 120609078
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 120560369
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride
CID 120588846
N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 39004011
2-(4-tert-butylphenoxy)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39517699
4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 94638093
3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100642767
(E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 39004101
2-methoxy-5-[[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]methyl]benzoic acid
CID 45384959

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (CID 100526543) is 3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is COc1ccc(CCC(=O)NCc2cccc(N3CCCC3=O)c2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The InChIKey is JSQYWXBDVLNNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-13-17(8-10-20(16)27-2)9-11-21(25)23-15-18-5-3-6-19(14-18)24-12-4-7-22(24)26/h3,5-6,8,10,13-14H,4,7,9,11-12,15H2,1-2H3,(H,23,25).
What are the key properties of 3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 100526543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).