N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H22N2O5 — CID 16803903

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C19H22N2O5/c22-16(11-21-17(23)14-6-2-3-7-15(14)18(21)24)20-10-13-12-25-19(26-13)8-4-1-5-9-19/h2-3,6-7,13H,1,4-5,8-12H2,(H,20,22)
InChIKeyOXQIULJVCCKZJE-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.47
Rot. Bonds4

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 16803903) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID16803903
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C19H22N2O5/c22-16(11-21-17(23)14-6-2-3-7-15(14)18(21)24)20-10-13-12-25-19(26-13)8-4-1-5-9-19/h2-3,6-7,13H,1,4-5,8-12H2,(H,20,22)
InChIKeyOXQIULJVCCKZJE-UHFFFAOYSA-N
XLogP1.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
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-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 16803903) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is OXQIULJVCCKZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c22-16(11-21-17(23)14-6-2-3-7-15(14)18(21)24)20-10-13-12-25-19(26-13)8-4-1-5-9-19/h2-3,6-7,13H,1,4-5,8-12H2,(H,20,22).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 358.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 16803903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).