N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide

C20H22N2O3 — CID 16822138

IUPACN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CC(=O)N(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C20H22N2O3/c1-13-8-9-16(10-14(13)2)22-12-15(11-19(22)23)21-20(24)17-6-4-5-7-18(17)25-3/h4-10,15H,11-12H2,1-3H3,(H,21,24)
InChIKeyFQVXPHUNIQLXBW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.85
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide

N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide (PubChem CID 16822138) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
PubChem CID16822138
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CC(=O)N(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C20H22N2O3/c1-13-8-9-16(10-14(13)2)22-12-15(11-19(22)23)21-20(24)17-6-4-5-7-18(17)25-3/h4-10,15H,11-12H2,1-3H3,(H,21,24)
InChIKeyFQVXPHUNIQLXBW-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548070
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 7564250
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide
CID 16822159
5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7255711
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7547797
2,3-dimethoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548524
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide
CID 43971122
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 7215063
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623
methyl N-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]carbamate
CID 7543831
2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 7215092

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide (CID 16822138) is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1CC(=O)N(c2ccc(C)c(C)c2)C1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide?
The InChIKey is FQVXPHUNIQLXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-8-9-16(10-14(13)2)22-12-15(11-19(22)23)21-20(24)17-6-4-5-7-18(17)25-3/h4-10,15H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide?
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide has a molecular weight of 338.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 16822138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).