2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium

C20H23N2O4+ — CID 7029981

IUPAC2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
SMILESCOc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-9-8-14(12-18(17)26-2)10-11-21-16-13-19(23)22(20(16)24)15-6-4-3-5-7-15/h3-9,12,16,21H,10-11,13H2,1-2H3/p+1/t16-/m1/s1
InChIKeyDCAHCXBEGOWHAX-MRXNPFEDSA-O
MW355.41 g/mol
LogP1.14
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium

2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium (PubChem CID 7029981) has the molecular formula C20H23N2O4+ and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
PubChem CID7029981
Molecular FormulaC20H23N2O4+
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
SMILESCOc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-9-8-14(12-18(17)26-2)10-11-21-16-13-19(23)22(20(16)24)15-6-4-3-5-7-15/h3-9,12,16,21H,10-11,13H2,1-2H3/p+1/t16-/m1/s1
InChIKeyDCAHCXBEGOWHAX-MRXNPFEDSA-O
XLogP1.14
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium 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

2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7117747
2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4660391
2-(3,4-dimethoxyphenyl)ethyl-[(3R)-1-(dimethylamino)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7322635
2-(4-chlorophenyl)ethyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4993829
[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium
CID 7317627
[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 4187294
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium
CID 4068669
[(3R)-1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6959898
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6944402
[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 2273222
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]propanamide
CID 1109209
[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 6968752

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium (CID 7029981) is 2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium is COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium?
The InChIKey is DCAHCXBEGOWHAX-MRXNPFEDSA-O. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-9-8-14(12-18(17)26-2)10-11-21-16-13-19(23)22(20(16)24)15-6-4-3-5-7-15/h3-9,12,16,21H,10-11,13H2,1-2H3/p+1/t16-/m1/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium?
2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium has a molecular weight of 355.41 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium is sourced from PubChem (CID 7029981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).