4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide

C25H24N2O4 — CID 26444427

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc(CN4C(=O)CCC4=O)cc3)ccc2c1
InChIInChI=1S/C25H24N2O4/c1-26(15-18-5-8-21-14-22(31-2)10-9-20(21)13-18)25(30)19-6-3-17(4-7-19)16-27-23(28)11-12-24(27)29/h3-10,13-14H,11-12,15-16H2,1-2H3
InChIKeyFGFKALBNXGARML-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.77
Rot. Bonds6

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide (PubChem CID 26444427) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
PubChem CID26444427
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc(CN4C(=O)CCC4=O)cc3)ccc2c1
InChIInChI=1S/C25H24N2O4/c1-26(15-18-5-8-21-14-22(31-2)10-9-20(21)13-18)25(30)19-6-3-17(4-7-19)16-27-23(28)11-12-24(27)29/h3-10,13-14H,11-12,15-16H2,1-2H3
InChIKeyFGFKALBNXGARML-UHFFFAOYSA-N
XLogP3.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.77
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

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 32762574
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 31285172
4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9482810
4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 9482803
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 33081136
3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 8991176
1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 167792230
N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
CID 9482656
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 8529251
3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 46585419
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide (CID 26444427) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide is COc1ccc2cc(CN(C)C(=O)c3ccc(CN4C(=O)CCC4=O)cc3)ccc2c1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide?
The InChIKey is FGFKALBNXGARML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-26(15-18-5-8-21-14-22(31-2)10-9-20(21)13-18)25(30)19-6-3-17(4-7-19)16-27-23(28)11-12-24(27)29/h3-10,13-14H,11-12,15-16H2,1-2H3.
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide has a molecular weight of 416.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 26444427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).