3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione

C23H22N2O3 — CID 42945423

IUPAC3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione
SMILESCOc1ccc(CN(C)C2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C23H22N2O3/c1-24(15-16-7-11-20(28-2)12-8-16)21-14-22(26)25(23(21)27)19-10-9-17-5-3-4-6-18(17)13-19/h3-13,21H,14-15H2,1-2H3
InChIKeyUGUQPXYOAXEZGN-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.61
Rot. Bonds5

About 3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione

3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione (PubChem CID 42945423) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione
PubChem CID42945423
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione
SMILESCOc1ccc(CN(C)C2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C23H22N2O3/c1-24(15-16-7-11-20(28-2)12-8-16)21-14-22(26)25(23(21)27)19-10-9-17-5-3-4-6-18(17)13-19/h3-13,21H,14-15H2,1-2H3
InChIKeyUGUQPXYOAXEZGN-UHFFFAOYSA-N
XLogP3.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(3,4-dimethoxyphenyl)-3-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]pyrrolidine-2,5-dione
CID 41390628
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2866607
N-benzyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23772824
N-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 1109187
(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione
CID 1098209
(3S)-1-(2,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
CID 41390458
1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 4545161
1-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]-3-methylthiourea
CID 1366434
(3R)-3-[benzyl(methyl)amino]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 754275
3-(4-methoxyphenyl)-1-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]urea
CID 27871428
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 23916463
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23830636

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione (CID 42945423) is 3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione is COc1ccc(CN(C)C2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione?
The InChIKey is UGUQPXYOAXEZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-24(15-16-7-11-20(28-2)12-8-16)21-14-22(26)25(23(21)27)19-10-9-17-5-3-4-6-18(17)13-19/h3-13,21H,14-15H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione?
3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione has a molecular weight of 374.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 42945423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).