N-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

C20H22N2O4 — CID 5309576

IUPACN-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CC(c3ccccc3)CC2=O)cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-9-8-16(11-18(17)26-2)21-19(23)13-22-12-15(10-20(22)24)14-6-4-3-5-7-14/h3-9,11,15H,10,12-13H2,1-2H3,(H,21,23)
InChIKeyDWDCIMOKRXVCFZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.66
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

N-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide (PubChem CID 5309576) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
PubChem CID5309576
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CC(c3ccccc3)CC2=O)cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-9-8-16(11-18(17)26-2)21-19(23)13-22-12-15(10-20(22)24)14-6-4-3-5-7-14/h3-9,11,15H,10,12-13H2,1-2H3,(H,21,23)
InChIKeyDWDCIMOKRXVCFZ-UHFFFAOYSA-N
XLogP2.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 3240990
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
CID 4880035
1-Ethyl-3-[(4-methoxyphenyl)amino]-4-phenyl-1H-pyrrole-2,5-dione
CID 24768118
N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3,4-dimethoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 70276605
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[(2R)-4-(3,4-dimethoxyphenyl)-2-methylpiperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 71458923
CeMMEC13
CID 110694558
2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2332755
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 11948728
2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 46902957
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-1,3-benzodioxol-5-yl-N'-(4-methylcyclohexyl)ethanediamide
CID 2223231

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide (CID 5309576) is N-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide is COc1ccc(NC(=O)CN2CC(c3ccccc3)CC2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is DWDCIMOKRXVCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-9-8-16(11-18(17)26-2)21-19(23)13-22-12-15(10-20(22)24)14-6-4-3-5-7-14/h3-9,11,15H,10,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 5309576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).