[4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate

C23H22N2O5 — CID 23888619

IUPAC[4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(N2C(=O)CC(N(C(=O)c3ccc(C)cc3)C3CC3)C2=O)cc1
InChIInChI=1S/C23H22N2O5/c1-14-3-5-16(6-4-14)22(28)24(17-7-8-17)20-13-21(27)25(23(20)29)18-9-11-19(12-10-18)30-15(2)26/h3-6,9-12,17,20H,7-8,13H2,1-2H3
InChIKeyTVDMCEMMRCCFDC-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.86
Rot. Bonds5

About [4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate

[4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate (PubChem CID 23888619) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is [4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
PubChem CID23888619
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name[4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(N2C(=O)CC(N(C(=O)c3ccc(C)cc3)C3CC3)C2=O)cc1
InChIInChI=1S/C23H22N2O5/c1-14-3-5-16(6-4-14)22(28)24(17-7-8-17)20-13-21(27)25(23(20)29)18-9-11-19(12-10-18)30-15(2)26/h3-6,9-12,17,20H,7-8,13H2,1-2H3
InChIKeyTVDMCEMMRCCFDC-UHFFFAOYSA-N
XLogP2.86
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-[cycloheptyl-(4-fluorobenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23774444
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methylbenzamide
CID 23803618
[4-[3-[cyclopropyl(3,3-dimethylbutanoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23830943
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-4-methylbenzamide
CID 23944596
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexyl-4-methylbenzamide
CID 23832421
[4-[3-[cyclohexyl(thiophene-2-carbonyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23971114
N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23942984
[4-[3-[tert-butyl-(4-fluorobenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23745281
N-cyclopentyl-3-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745191
N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972519
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23942969
[4-[3-[[2-(4-chlorophenyl)acetyl]-cyclohexylamino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23830853

Frequently Asked Questions

What is the IUPAC name of [4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate?
The IUPAC name of [4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate (CID 23888619) is [4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate.
What is the SMILES notation for [4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate?
The canonical SMILES for [4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate is CC(=O)Oc1ccc(N2C(=O)CC(N(C(=O)c3ccc(C)cc3)C3CC3)C2=O)cc1.
What is the InChIKey of [4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate?
The InChIKey is TVDMCEMMRCCFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-14-3-5-16(6-4-14)22(28)24(17-7-8-17)20-13-21(27)25(23(20)29)18-9-11-19(12-10-18)30-15(2)26/h3-6,9-12,17,20H,7-8,13H2,1-2H3.
What are the key properties of [4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate?
[4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate has a molecular weight of 406.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[cyclopropyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate is sourced from PubChem (CID 23888619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).