5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C19H26N2O4 — CID 5036312

IUPAC5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCC1(C)COC2(OC1)C(=O)N(CN1CCOCC1)c1ccccc12
InChIInChI=1S/C19H26N2O4/c1-3-18(2)12-24-19(25-13-18)15-6-4-5-7-16(15)21(17(19)22)14-20-8-10-23-11-9-20/h4-7H,3,8-14H2,1-2H3
InChIKeyFHPGGZFVZCSXRV-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.94
Rot. Bonds3

About 5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 5036312) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID5036312
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCC1(C)COC2(OC1)C(=O)N(CN1CCOCC1)c1ccccc12
InChIInChI=1S/C19H26N2O4/c1-3-18(2)12-24-19(25-13-18)15-6-4-5-7-16(15)21(17(19)22)14-20-8-10-23-11-9-20/h4-7H,3,8-14H2,1-2H3
InChIKeyFHPGGZFVZCSXRV-UHFFFAOYSA-N
XLogP1.94
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 5036312) is 5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is CCC1(C)COC2(OC1)C(=O)N(CN1CCOCC1)c1ccccc12.
What is the InChIKey of 5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is FHPGGZFVZCSXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-18(2)12-24-19(25-13-18)15-6-4-5-7-16(15)21(17(19)22)14-20-8-10-23-11-9-20/h4-7H,3,8-14H2,1-2H3.
What are the key properties of 5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 346.43 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 5036312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).