3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione

C21H24N2O4 — CID 3679102

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESCOc1ccc(CCN(C)C2CC(=O)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C21H24N2O4/c1-22(12-11-15-9-10-18(26-2)19(13-15)27-3)17-14-20(24)23(21(17)25)16-7-5-4-6-8-16/h4-10,13,17H,11-12,14H2,1-3H3
InChIKeyXRDNQYKDVCMVQK-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.51
Rot. Bonds7

About 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione

3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 3679102) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione
PubChem CID3679102
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESCOc1ccc(CCN(C)C2CC(=O)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C21H24N2O4/c1-22(12-11-15-9-10-18(26-2)19(13-15)27-3)17-14-20(24)23(21(17)25)16-7-5-4-6-8-16/h4-10,13,17H,11-12,14H2,1-3H3
InChIKeyXRDNQYKDVCMVQK-UHFFFAOYSA-N
XLogP2.51
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione (CID 3679102) is 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione is COc1ccc(CCN(C)C2CC(=O)N(c3ccccc3)C2=O)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is XRDNQYKDVCMVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-22(12-11-15-9-10-18(26-2)19(13-15)27-3)17-14-20(24)23(21(17)25)16-7-5-4-6-8-16/h4-10,13,17H,11-12,14H2,1-3H3.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione?
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 368.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 3679102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).