2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide

C19H22N4O4 — CID 55719787

IUPAC2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
SMILESO=C(CN1C(=O)C2CCCCC2C1=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C19H22N4O4/c24-16(11-23-17(25)14-6-1-2-7-15(14)18(23)26)21-12-4-3-5-13(10-12)22-9-8-20-19(22)27/h3-5,10,14-15H,1-2,6-9,11H2,(H,20,27)(H,21,24)
InChIKeyUUEGLKLHPMHSFX-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.33
Rot. Bonds4

About 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide (PubChem CID 55719787) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
PubChem CID55719787
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
SMILESO=C(CN1C(=O)C2CCCCC2C1=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C19H22N4O4/c24-16(11-23-17(25)14-6-1-2-7-15(14)18(23)26)21-12-4-3-5-13(10-12)22-9-8-20-19(22)27/h3-5,10,14-15H,1-2,6-9,11H2,(H,20,27)(H,21,24)
InChIKeyUUEGLKLHPMHSFX-UHFFFAOYSA-N
XLogP1.33
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide 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

2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-chlorophenyl)acetamide
CID 2708286
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727665
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
2-cyclopentyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 71938993
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 26380105
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119809570
3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 63679045
4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672792
N-(3-aminophenyl)-2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetamide
CID 64836220
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 47036521
1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 51116378

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide (CID 55719787) is 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide is O=C(CN1C(=O)C2CCCCC2C1=O)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
The InChIKey is UUEGLKLHPMHSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-16(11-23-17(25)14-6-1-2-7-15(14)18(23)26)21-12-4-3-5-13(10-12)22-9-8-20-19(22)27/h3-5,10,14-15H,1-2,6-9,11H2,(H,20,27)(H,21,24).
What are the key properties of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 55719787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).