4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one

C16H23NO3 — CID 66106580

IUPAC4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one
SMILESCCC1NC(=O)CC1(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-5-14-16(2,10-15(18)17-14)9-11-6-7-12(19-3)13(8-11)20-4/h6-8,14H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyOWPKNCWDGKEITB-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.55
Rot. Bonds5

About 4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one

4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one (PubChem CID 66106580) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one
PubChem CID66106580
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one
SMILESCCC1NC(=O)CC1(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-5-14-16(2,10-15(18)17-14)9-11-6-7-12(19-3)13(8-11)20-4/h6-8,14H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyOWPKNCWDGKEITB-UHFFFAOYSA-N
XLogP2.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 114487056
(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2063611
(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 97054788
4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
CID 63789962
3-(3,4-dimethoxyphenyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359949
5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10334619
5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727440
2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-one
CID 83841846
4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one
CID 138389637
[(3S,4S)-3,4-bis[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl] acetate
CID 102023275
2-[2-(3,4-dimethoxyphenyl)-1-hydroxyethylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 13464732
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one (CID 66106580) is 4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one is CCC1NC(=O)CC1(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one?
The InChIKey is OWPKNCWDGKEITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-14-16(2,10-15(18)17-14)9-11-6-7-12(19-3)13(8-11)20-4/h6-8,14H,5,9-10H2,1-4H3,(H,17,18).
What are the key properties of 4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one?
4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one has a molecular weight of 277.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one is sourced from PubChem (CID 66106580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).