N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide

C24H24N2O6 — CID 42319590

IUPACN-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C1CCC(=O)N1CCOc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)C2CC2)cc1
InChIInChI=1S/C24H24N2O6/c27-22-9-10-23(28)25(22)11-12-30-19-6-1-16(2-7-19)14-26(18-4-5-18)24(29)17-3-8-20-21(13-17)32-15-31-20/h1-3,6-8,13,18H,4-5,9-12,14-15H2
InChIKeyGGVGYZMCBHLSHQ-UHFFFAOYSA-N
MW436.46 g/mol
LogP2.75
Rot. Bonds8

About N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide

N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42319590) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID42319590
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC NameN-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C1CCC(=O)N1CCOc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)C2CC2)cc1
InChIInChI=1S/C24H24N2O6/c27-22-9-10-23(28)25(22)11-12-30-19-6-1-16(2-7-19)14-26(18-4-5-18)24(29)17-3-8-20-21(13-17)32-15-31-20/h1-3,6-8,13,18H,4-5,9-12,14-15H2
InChIKeyGGVGYZMCBHLSHQ-UHFFFAOYSA-N
XLogP2.75
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide (CID 42319590) is N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide is O=C1CCC(=O)N1CCOc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is GGVGYZMCBHLSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c27-22-9-10-23(28)25(22)11-12-30-19-6-1-16(2-7-19)14-26(18-4-5-18)24(29)17-3-8-20-21(13-17)32-15-31-20/h1-3,6-8,13,18H,4-5,9-12,14-15H2.
What are the key properties of N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide?
N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42319590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).