N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide

C27H26N2O4 — CID 23887067

IUPACN-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
SMILESCCOc1ccc(N2C(=O)CC(N(Cc3ccccc3)C(=O)Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C27H26N2O4/c1-2-33-23-15-13-22(14-16-23)29-26(31)18-24(27(29)32)28(19-21-11-7-4-8-12-21)25(30)17-20-9-5-3-6-10-20/h3-16,24H,2,17-19H2,1H3
InChIKeyKDCAKHWDQPLYCQ-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.99
Rot. Bonds8

About N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide

N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide (PubChem CID 23887067) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
PubChem CID23887067
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
SMILESCCOc1ccc(N2C(=O)CC(N(Cc3ccccc3)C(=O)Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C27H26N2O4/c1-2-33-23-15-13-22(14-16-23)29-26(31)18-24(27(29)32)28(19-21-11-7-4-8-12-21)25(30)17-20-9-5-3-6-10-20/h3-16,24H,2,17-19H2,1H3
InChIKeyKDCAKHWDQPLYCQ-UHFFFAOYSA-N
XLogP3.99
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.99
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

N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23943061
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23832221
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23915169
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-[(4-fluorophenyl)methyl]acetamide
CID 23802029
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 23971103
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 5081940
(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 930931
N-[(2-chlorophenyl)methyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide
CID 23859354
N-[(2-chlorophenyl)methyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23887054
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[3-[benzyl(methyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23100081
N-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 1109187

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide (CID 23887067) is N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide is CCOc1ccc(N2C(=O)CC(N(Cc3ccccc3)C(=O)Cc3ccccc3)C2=O)cc1.
What is the InChIKey of N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide?
The InChIKey is KDCAKHWDQPLYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-2-33-23-15-13-22(14-16-23)29-26(31)18-24(27(29)32)28(19-21-11-7-4-8-12-21)25(30)17-20-9-5-3-6-10-20/h3-16,24H,2,17-19H2,1H3.
What are the key properties of N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide?
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide has a molecular weight of 442.52 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 23887067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).