N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C23H21N3O6 — CID 16822370

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NC1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C23H21N3O6/c27-20(7-8-25-22(29)16-3-1-2-4-17(16)23(25)30)24-14-11-21(28)26(13-14)15-5-6-18-19(12-15)32-10-9-31-18/h1-6,12,14H,7-11,13H2,(H,24,27)
InChIKeyGMAGDDGPYAKERV-UHFFFAOYSA-N
MW435.44 g/mol
LogP1.37
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 16822370) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID16822370
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NC1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C23H21N3O6/c27-20(7-8-25-22(29)16-3-1-2-4-17(16)23(25)30)24-14-11-21(28)26(13-14)15-5-6-18-19(12-15)32-10-9-31-18/h1-6,12,14H,7-11,13H2,(H,24,27)
InChIKeyGMAGDDGPYAKERV-UHFFFAOYSA-N
XLogP1.37
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 43971301
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 43971264
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 16822301
3-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971149
3-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563558
4-chloro-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]butanamide
CID 7564022
N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide
CID 7564030
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 43971300
4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 7547526
4-(1,3-dioxoisoindol-2-yl)-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 7563765
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 43971265
1-benzhydryl-3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
CID 41128700

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 16822370) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NC1CC(=O)N(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is GMAGDDGPYAKERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c27-20(7-8-25-22(29)16-3-1-2-4-17(16)23(25)30)24-14-11-21(28)26(13-14)15-5-6-18-19(12-15)32-10-9-31-18/h1-6,12,14H,7-11,13H2,(H,24,27).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 435.44 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 16822370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).