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

C23H27NO4 — CID 18884260

IUPAC1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCC(C)CCOc1ccc(CN2C(=O)C3(OCCCO3)c3ccccc32)cc1
InChIInChI=1S/C23H27NO4/c1-17(2)12-15-26-19-10-8-18(9-11-19)16-24-21-7-4-3-6-20(21)23(22(24)25)27-13-5-14-28-23/h3-4,6-11,17H,5,12-16H2,1-2H3
InChIKeySIKQNWQTQJQXLR-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.25
Rot. Bonds6

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

1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 18884260) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID18884260
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCC(C)CCOc1ccc(CN2C(=O)C3(OCCCO3)c3ccccc32)cc1
InChIInChI=1S/C23H27NO4/c1-17(2)12-15-26-19-10-8-18(9-11-19)16-24-21-7-4-3-6-20(21)23(22(24)25)27-13-5-14-28-23/h3-4,6-11,17H,5,12-16H2,1-2H3
InChIKeySIKQNWQTQJQXLR-UHFFFAOYSA-N
XLogP4.25
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884261
1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9191054
1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884280
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884322
5'-chloro-1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161648
1'-[(4-butoxy-3-methoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177780
1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161643
N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
CID 5115291
1'-[(4-hexoxyphenyl)methyl]-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177837
7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177618
1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-dioxepane-2,3'-indole]-2'-one
CID 17138691

Frequently Asked Questions

What is the IUPAC name of 1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 18884260) is 1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is CC(C)CCOc1ccc(CN2C(=O)C3(OCCCO3)c3ccccc32)cc1.
What is the InChIKey of 1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is SIKQNWQTQJQXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-17(2)12-15-26-19-10-8-18(9-11-19)16-24-21-7-4-3-6-20(21)23(22(24)25)27-13-5-14-28-23/h3-4,6-11,17H,5,12-16H2,1-2H3.
What are the key properties of 1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 381.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 18884260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).