4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C21H23NO4 — CID 9177487

IUPAC4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1ccc(C)c2c1N(CCOc1ccccc1)C(=O)C21OCCCO1
InChIInChI=1S/C21H23NO4/c1-15-9-10-16(2)19-18(15)21(25-12-6-13-26-21)20(23)22(19)11-14-24-17-7-4-3-5-8-17/h3-5,7-10H,6,11-14H2,1-2H3
InChIKeyLNNVLSIDYLGREL-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.32
Rot. Bonds4

About 4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 9177487) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID9177487
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1ccc(C)c2c1N(CCOc1ccccc1)C(=O)C21OCCCO1
InChIInChI=1S/C21H23NO4/c1-15-9-10-16(2)19-18(15)21(25-12-6-13-26-21)20(23)22(19)11-14-24-17-7-4-3-5-8-17/h3-5,7-10H,6,11-14H2,1-2H3
InChIKeyLNNVLSIDYLGREL-UHFFFAOYSA-N
XLogP3.32
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4',7'-dimethyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177969
1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177985
4',7'-dimethyl-1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177481
4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178215
7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177909
4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178218
5'-methyl-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177844
4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9150164
5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 6457027
7'-methyl-1'-[3-(4-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177923
2-(4',7'-dimethyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetonitrile
CID 9177945
1'-[(4-butoxy-3-methoxyphenyl)methyl]-4',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177486

Frequently Asked Questions

What is the IUPAC name of 4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 9177487) is 4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is Cc1ccc(C)c2c1N(CCOc1ccccc1)C(=O)C21OCCCO1.
What is the InChIKey of 4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is LNNVLSIDYLGREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-15-9-10-16(2)19-18(15)21(25-12-6-13-26-21)20(23)22(19)11-14-24-17-7-4-3-5-8-17/h3-5,7-10H,6,11-14H2,1-2H3.
What are the key properties of 4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 353.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).