N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide

C18H22N2O5 — CID 2964886

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H22N2O5/c21-16(4-2-1-3-9-20-17(22)7-8-18(20)23)19-13-5-6-14-15(12-13)25-11-10-24-14/h5-6,12H,1-4,7-11H2,(H,19,21)
InChIKeyFKQCZNQPCFSFBZ-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.11
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide (PubChem CID 2964886) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
PubChem CID2964886
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H22N2O5/c21-16(4-2-1-3-9-20-17(22)7-8-18(20)23)19-13-5-6-14-15(12-13)25-11-10-24-14/h5-6,12H,1-4,7-11H2,(H,19,21)
InChIKeyFKQCZNQPCFSFBZ-UHFFFAOYSA-N
XLogP2.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide (CID 2964886) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide is O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The InChIKey is FKQCZNQPCFSFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c21-16(4-2-1-3-9-20-17(22)7-8-18(20)23)19-13-5-6-14-15(12-13)25-11-10-24-14/h5-6,12H,1-4,7-11H2,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide has a molecular weight of 346.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide is sourced from PubChem (CID 2964886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).