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

C24H29NO5 — CID 9177740

IUPAC5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCCCc1ccc2c(c1)C1(OCCCO1)C(=O)N2Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C24H29NO5/c1-4-5-7-17-8-10-20-19(14-17)24(29-12-6-13-30-24)23(26)25(20)16-18-9-11-21(27-2)22(15-18)28-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3
InChIKeyFUXINBXYTWMELS-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.18
Rot. Bonds7

About 5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 9177740) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is 5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID9177740
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCCCc1ccc2c(c1)C1(OCCCO1)C(=O)N2Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C24H29NO5/c1-4-5-7-17-8-10-20-19(14-17)24(29-12-6-13-30-24)23(26)25(20)16-18-9-11-21(27-2)22(15-18)28-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3
InChIKeyFUXINBXYTWMELS-UHFFFAOYSA-N
XLogP4.18
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5'-chloro-1'-[(3-methoxy-4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884339
1'-[(4-butoxy-3-methoxyphenyl)methyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178106
1'-[(4-butoxy-3-methoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177780
1'-[(4-butoxy-3-methoxyphenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177543
1'-[(4-butoxy-3-methoxyphenyl)methyl]-4',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177486
5'-chloro-1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161648
5'-butyl-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178297
1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884261
1'-[(2-butoxyphenyl)methyl]-5'-chlorospiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9196261
1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18889419
5'-chloro-1'-heptylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18889511
(3S)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 7444645

Frequently Asked Questions

What is the IUPAC name of 5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 9177740) is 5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is CCCCc1ccc2c(c1)C1(OCCCO1)C(=O)N2Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is FUXINBXYTWMELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-4-5-7-17-8-10-20-19(14-17)24(29-12-6-13-30-24)23(26)25(20)16-18-9-11-21(27-2)22(15-18)28-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3.
What are the key properties of 5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 411.50 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-butyl-1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).