1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

C24H29NO4 — CID 18884280

IUPAC1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCC(C)(C)c1ccc(OCCCN2C(=O)C3(OCCCO3)c3ccccc32)cc1
InChIInChI=1S/C24H29NO4/c1-23(2,3)18-10-12-19(13-11-18)27-15-6-14-25-21-9-5-4-8-20(21)24(22(25)26)28-16-7-17-29-24/h4-5,8-13H,6-7,14-17H2,1-3H3
InChIKeyXHMVGEXBUYIWRT-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.39
Rot. Bonds5

About 1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 18884280) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID18884280
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCC(C)(C)c1ccc(OCCCN2C(=O)C3(OCCCO3)c3ccccc32)cc1
InChIInChI=1S/C24H29NO4/c1-23(2,3)18-10-12-19(13-11-18)27-15-6-14-25-21-9-5-4-8-20(21)24(22(25)26)28-16-7-17-29-24/h4-5,8-13H,6-7,14-17H2,1-3H3
InChIKeyXHMVGEXBUYIWRT-UHFFFAOYSA-N
XLogP4.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884261
1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884281
1'-[3-(3-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177799
1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884260
1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161643
1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889643
1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9191054
1'-[3-(4-methoxyphenoxy)propyl]-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177863
5'-chloro-1'-[3-(4-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178126
N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
CID 5115291
7'-methyl-1'-[3-(4-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177923
5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177844

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 18884280) is 1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is CC(C)(C)c1ccc(OCCCN2C(=O)C3(OCCCO3)c3ccccc32)cc1.
What is the InChIKey of 1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is XHMVGEXBUYIWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-23(2,3)18-10-12-19(13-11-18)27-15-6-14-25-21-9-5-4-8-20(21)24(22(25)26)28-16-7-17-29-24/h4-5,8-13H,6-7,14-17H2,1-3H3.
What are the key properties of 1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 395.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 18884280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).