4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one

C16H24N2O4 — CID 82193192

IUPAC4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one
SMILESCOCCCN1C(=O)CC(N)C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H24N2O4/c1-20-8-4-7-18-15(19)10-12(17)16(18)11-5-6-13(21-2)14(9-11)22-3/h5-6,9,12,16H,4,7-8,10,17H2,1-3H3
InChIKeyKATCSZGPERDIRK-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.34
Rot. Bonds7

About 4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one

4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one (PubChem CID 82193192) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one
PubChem CID82193192
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one
SMILESCOCCCN1C(=O)CC(N)C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H24N2O4/c1-20-8-4-7-18-15(19)10-12(17)16(18)11-5-6-13(21-2)14(9-11)22-3/h5-6,9,12,16H,4,7-8,10,17H2,1-3H3
InChIKeyKATCSZGPERDIRK-UHFFFAOYSA-N
XLogP1.34
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-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-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one
CID 82193078
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-ethylpyrrolidin-2-one
CID 82193039
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 82193026
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 82193088
(4R,5S)-4-amino-5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95359023
4-amino-5-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 106534355
3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 3151228
4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 82193066
5-amino-6-(3-methoxy-4-propan-2-yloxyphenyl)-1-methylpiperidin-2-one
CID 82193322
5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one
CID 82193325
(4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
CID 6045567
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 16765282

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one (CID 82193192) is 4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one is COCCCN1C(=O)CC(N)C1c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one?
The InChIKey is KATCSZGPERDIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-20-8-4-7-18-15(19)10-12(17)16(18)11-5-6-13(21-2)14(9-11)22-3/h5-6,9,12,16H,4,7-8,10,17H2,1-3H3.
What are the key properties of 4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one?
4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one has a molecular weight of 308.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 82193192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).