N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide

C21H26N2O5 — CID 20994914

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C21H26N2O5/c1-2-22(13-15-5-6-16-17(11-15)28-10-9-27-16)19(25)14-23-18(24)12-21(20(23)26)7-3-4-8-21/h5-6,11H,2-4,7-10,12-14H2,1H3
InChIKeyCFEAMAIQPZMKQG-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.13
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide (PubChem CID 20994914) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide
PubChem CID20994914
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C21H26N2O5/c1-2-22(13-15-5-6-16-17(11-15)28-10-9-27-16)19(25)14-23-18(24)12-21(20(23)26)7-3-4-8-21/h5-6,11H,2-4,7-10,12-14H2,1H3
InChIKeyCFEAMAIQPZMKQG-UHFFFAOYSA-N
XLogP2.13
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide (CID 20994914) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide is CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide?
The InChIKey is CFEAMAIQPZMKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-2-22(13-15-5-6-16-17(11-15)28-10-9-27-16)19(25)14-23-18(24)12-21(20(23)26)7-3-4-8-21/h5-6,11H,2-4,7-10,12-14H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide has a molecular weight of 386.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 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-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide is sourced from PubChem (CID 20994914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).