1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

C23H27NO4 — CID 18884261

IUPAC1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCCCCOc1ccc(CN2C(=O)C3(OCCCO3)c3ccccc32)cc1
InChIInChI=1S/C23H27NO4/c1-2-3-6-14-26-19-12-10-18(11-13-19)17-24-21-9-5-4-8-20(21)23(22(24)25)27-15-7-16-28-23/h4-5,8-13H,2-3,6-7,14-17H2,1H3
InChIKeyARKMTSGPXBRXKL-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.39
Rot. Bonds7

About 1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 18884261) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID18884261
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCCCCOc1ccc(CN2C(=O)C3(OCCCO3)c3ccccc32)cc1
InChIInChI=1S/C23H27NO4/c1-2-3-6-14-26-19-12-10-18(11-13-19)17-24-21-9-5-4-8-20(21)23(22(24)25)27-15-7-16-28-23/h4-5,8-13H,2-3,6-7,14-17H2,1H3
InChIKeyARKMTSGPXBRXKL-UHFFFAOYSA-N
XLogP4.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.39
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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Related Compounds

1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884260
1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9191054
1'-[(4-hexoxyphenyl)methyl]-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177837
1'-[(4-butoxy-3-methoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177780
4',7'-dimethyl-1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177481
1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884280
1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884322
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
5'-chloro-1'-[(3-methoxy-4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884339
1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889643
N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
CID 5115291
1'-[(2-butoxyphenyl)methyl]-5'-chlorospiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9196261

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 18884261) is 1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is CCCCCOc1ccc(CN2C(=O)C3(OCCCO3)c3ccccc32)cc1.
What is the InChIKey of 1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is ARKMTSGPXBRXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-2-3-6-14-26-19-12-10-18(11-13-19)17-24-21-9-5-4-8-20(21)23(22(24)25)27-15-7-16-28-23/h4-5,8-13H,2-3,6-7,14-17H2,1H3.
What are the key properties of 1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 381.47 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 18884261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).