N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide

C25H24N2O5 — CID 23971103

IUPACN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(N2C(=O)CC(N(Cc3ccc(C)cc3)C(=O)c3ccco3)C2=O)cc1
InChIInChI=1S/C25H24N2O5/c1-3-31-20-12-10-19(11-13-20)27-23(28)15-21(24(27)29)26(25(30)22-5-4-14-32-22)16-18-8-6-17(2)7-9-18/h4-14,21H,3,15-16H2,1-2H3
InChIKeyBGQDJCJNKMDATM-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.96
Rot. Bonds7

About N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 23971103) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
PubChem CID23971103
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(N2C(=O)CC(N(Cc3ccc(C)cc3)C(=O)c3ccco3)C2=O)cc1
InChIInChI=1S/C25H24N2O5/c1-3-31-20-12-10-19(11-13-20)27-23(28)15-21(24(27)29)26(25(30)22-5-4-14-32-22)16-18-8-6-17(2)7-9-18/h4-14,21H,3,15-16H2,1-2H3
InChIKeyBGQDJCJNKMDATM-UHFFFAOYSA-N
XLogP3.96
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide
CID 23859354
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 23859178
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 25043221
N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide
CID 23802209
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 3121023
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23887067
N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide
CID 23803634
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 23830936
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 23802029
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-3-methoxybenzamide
CID 23832242
N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23802125
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23832221

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (CID 23971103) is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is CCOc1ccc(N2C(=O)CC(N(Cc3ccc(C)cc3)C(=O)c3ccco3)C2=O)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is BGQDJCJNKMDATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-3-31-20-12-10-19(11-13-20)27-23(28)15-21(24(27)29)26(25(30)22-5-4-14-32-22)16-18-8-6-17(2)7-9-18/h4-14,21H,3,15-16H2,1-2H3.
What are the key properties of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 23971103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).