2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide

C15H20N2O4 — CID 110745992

IUPAC2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2CC(=O)N(C)C2)cc1OC
InChIInChI=1S/C15H20N2O4/c1-17-9-11(8-15(17)19)16-14(18)7-10-4-5-12(20-2)13(6-10)21-3/h4-6,11H,7-9H2,1-3H3,(H,16,18)
InChIKeyROXCQWDQOBTJSF-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.59
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide (PubChem CID 110745992) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
PubChem CID110745992
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2CC(=O)N(C)C2)cc1OC
InChIInChI=1S/C15H20N2O4/c1-17-9-11(8-15(17)19)16-14(18)7-10-4-5-12(20-2)13(6-10)21-3/h4-6,11H,7-9H2,1-3H3,(H,16,18)
InChIKeyROXCQWDQOBTJSF-UHFFFAOYSA-N
XLogP0.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 18573415
N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 56755611
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656501
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
CID 77089658
3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971326
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 7255696
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110473177
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108558717
3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide
CID 95274540
2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
CID 108558758

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide (CID 110745992) is 2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide is COc1ccc(CC(=O)NC2CC(=O)N(C)C2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide?
The InChIKey is ROXCQWDQOBTJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17-9-11(8-15(17)19)16-14(18)7-10-4-5-12(20-2)13(6-10)21-3/h4-6,11H,7-9H2,1-3H3,(H,16,18).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 110745992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).