3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride

C22H28ClN3O4 — CID 120611677

IUPAC3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(N(C)C(=O)CCc3ccccc3N)C2=O)c1.Cl
InChIInChI=1S/C22H27N3O4.ClH/c1-24(21(26)9-8-15-6-4-5-7-19(15)23)20-10-11-25(22(20)27)16-12-17(28-2)14-18(13-16)29-3;/h4-7,12-14,20H,8-11,23H2,1-3H3;1H
InChIKeyKBJAGKITOMZZEX-UHFFFAOYSA-N
MW433.94 g/mol
LogP2.90
Rot. Bonds7

About 3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride

3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride (PubChem CID 120611677) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
PubChem CID120611677
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC Name3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(N(C)C(=O)CCc3ccccc3N)C2=O)c1.Cl
InChIInChI=1S/C22H27N3O4.ClH/c1-24(21(26)9-8-15-6-4-5-7-19(15)23)20-10-11-25(22(20)27)16-12-17(28-2)14-18(13-16)29-3;/h4-7,12-14,20H,8-11,23H2,1-3H3;1H
InChIKeyKBJAGKITOMZZEX-UHFFFAOYSA-N
XLogP2.90
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride 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

7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride
CID 119815316
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
CID 120610765
(2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 119341756
3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610711
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride
CID 119341758
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide
CID 120611859
3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 86936136
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119815344
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940318
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride (CID 120611677) is 3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride is COc1cc(OC)cc(N2CCC(N(C)C(=O)CCc3ccccc3N)C2=O)c1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride?
The InChIKey is KBJAGKITOMZZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4.ClH/c1-24(21(26)9-8-15-6-4-5-7-19(15)23)20-10-11-25(22(20)27)16-12-17(28-2)14-18(13-16)29-3;/h4-7,12-14,20H,8-11,23H2,1-3H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride?
3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride has a molecular weight of 433.94 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 120611677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).