3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide

C20H22N2O4 — CID 18573314

IUPAC3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CC(=O)N(c3ccc(C)cc3)C2)cc1OC
InChIInChI=1S/C20H22N2O4/c1-13-4-7-16(8-5-13)22-12-15(11-19(22)23)21-20(24)14-6-9-17(25-2)18(10-14)26-3/h4-10,15H,11-12H2,1-3H3,(H,21,24)
InChIKeyZYDNRLANQWTXAJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.55
Rot. Bonds5

About 3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide

3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 18573314) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID18573314
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CC(=O)N(c3ccc(C)cc3)C2)cc1OC
InChIInChI=1S/C20H22N2O4/c1-13-4-7-16(8-5-13)22-12-15(11-19(22)23)21-20(24)14-6-9-17(25-2)18(10-14)26-3/h4-10,15H,11-12H2,1-3H3,(H,21,24)
InChIKeyZYDNRLANQWTXAJ-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 7564250
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
4-bromo-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971347
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 43971351
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7564303
1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7552490
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-nitrobenzamide
CID 16822374
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547228
4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547181
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 18573314) is 3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide is COc1ccc(C(=O)NC2CC(=O)N(c3ccc(C)cc3)C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is ZYDNRLANQWTXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-4-7-16(8-5-13)22-12-15(11-19(22)23)21-20(24)14-6-9-17(25-2)18(10-14)26-3/h4-10,15H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 18573314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).