1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one

C21H23NO4 — CID 18884322

IUPAC1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCOc1ccc(CN2C(=O)C3(OCCCO3)c3cccc(C)c32)cc1
InChIInChI=1S/C21H23NO4/c1-3-24-17-10-8-16(9-11-17)14-22-19-15(2)6-4-7-18(19)21(20(22)23)25-12-5-13-26-21/h4,6-11H,3,5,12-14H2,1-2H3
InChIKeyCOZUBBDEAYRUDU-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.53
Rot. Bonds4

About 1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one

1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 18884322) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID18884322
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCOc1ccc(CN2C(=O)C3(OCCCO3)c3cccc(C)c32)cc1
InChIInChI=1S/C21H23NO4/c1-3-24-17-10-8-16(9-11-17)14-22-19-15(2)6-4-7-18(19)21(20(22)23)25-12-5-13-26-21/h4,6-11H,3,5,12-14H2,1-2H3
InChIKeyCOZUBBDEAYRUDU-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(2-butoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884320
4',7'-dimethyl-1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177481
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
7'-methyl-1'-[3-(4-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177923
1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884260
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-methyl-3-(2-oxopropyl)indol-2-one
CID 51921804
1'-[(4-butoxy-3-methoxyphenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177543
N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
CID 5115291
1'-[(4-butoxy-3-methoxyphenyl)methyl]-4',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177486
4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177487
7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177931

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 18884322) is 1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one is CCOc1ccc(CN2C(=O)C3(OCCCO3)c3cccc(C)c32)cc1.
What is the InChIKey of 1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is COZUBBDEAYRUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-3-24-17-10-8-16(9-11-17)14-22-19-15(2)6-4-7-18(19)21(20(22)23)25-12-5-13-26-21/h4,6-11H,3,5,12-14H2,1-2H3.
What are the key properties of 1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 353.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 18884322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).