3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide

C19H18N2O4 — CID 7772353

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1
InChIInChI=1S/C19H18N2O4/c1-25-16-7-5-13(6-8-16)12-20-19(24)14-3-2-4-15(11-14)21-17(22)9-10-18(21)23/h2-8,11H,9-10,12H2,1H3,(H,20,24)
InChIKeyPJFMJHHBQGRHSB-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.28
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 7772353) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID7772353
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1
InChIInChI=1S/C19H18N2O4/c1-25-16-7-5-13(6-8-16)12-20-19(24)14-3-2-4-15(11-14)21-17(22)9-10-18(21)23/h2-8,11H,9-10,12H2,1H3,(H,20,24)
InChIKeyPJFMJHHBQGRHSB-UHFFFAOYSA-N
XLogP2.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17171662
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204699
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-(2,5-dimethoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4863774
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992
[2-(4-methoxyanilino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204695
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide
CID 125135751
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 41287996
3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051458

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide (CID 7772353) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is PJFMJHHBQGRHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-25-16-7-5-13(6-8-16)12-20-19(24)14-3-2-4-15(11-14)21-17(22)9-10-18(21)23/h2-8,11H,9-10,12H2,1H3,(H,20,24).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 338.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 7772353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).