1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C24H23NO4 — CID 18884281

IUPAC1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CCCOc2cccc3ccccc23)c2ccccc2C12OCCCO2
InChIInChI=1S/C24H23NO4/c26-23-24(28-16-7-17-29-24)20-11-3-4-12-21(20)25(23)14-6-15-27-22-13-5-9-18-8-1-2-10-19(18)22/h1-5,8-13H,6-7,14-17H2
InChIKeyDTDNLAUFZJUJJF-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.25
Rot. Bonds5

About 1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 18884281) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID18884281
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CCCOc2cccc3ccccc23)c2ccccc2C12OCCCO2
InChIInChI=1S/C24H23NO4/c26-23-24(28-16-7-17-29-24)20-11-3-4-12-21(20)25(23)14-6-15-27-22-13-5-9-18-8-1-2-10-19(18)22/h1-5,8-13H,6-7,14-17H2
InChIKeyDTDNLAUFZJUJJF-UHFFFAOYSA-N
XLogP4.25
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 18884281) is 1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C1N(CCCOc2cccc3ccccc23)c2ccccc2C12OCCCO2.
What is the InChIKey of 1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is DTDNLAUFZJUJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c26-23-24(28-16-7-17-29-24)20-11-3-4-12-21(20)25(23)14-6-15-27-22-13-5-9-18-8-1-2-10-19(18)22/h1-5,8-13H,6-7,14-17H2.
What are the key properties of 1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 389.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 18884281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).