2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide

C21H22N2O4 — CID 3240781

IUPAC2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1C(=O)C2(OCCCO2)c2ccccc21)NCCc1ccccc1
InChIInChI=1S/C21H22N2O4/c24-19(22-12-11-16-7-2-1-3-8-16)15-23-18-10-5-4-9-17(18)21(20(23)25)26-13-6-14-27-21/h1-5,7-10H,6,11-15H2,(H,22,24)
InChIKeyFVFVEWPNFMYCHI-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.98
Rot. Bonds5

About 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide

2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide (PubChem CID 3240781) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide
PubChem CID3240781
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1C(=O)C2(OCCCO2)c2ccccc21)NCCc1ccccc1
InChIInChI=1S/C21H22N2O4/c24-19(22-12-11-16-7-2-1-3-8-16)15-23-18-10-5-4-9-17(18)21(20(23)25)26-13-6-14-27-21/h1-5,7-10H,6,11-15H2,(H,22,24)
InChIKeyFVFVEWPNFMYCHI-UHFFFAOYSA-N
XLogP1.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide (CID 3240781) is 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide is O=C(CN1C(=O)C2(OCCCO2)c2ccccc21)NCCc1ccccc1.
What is the InChIKey of 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is FVFVEWPNFMYCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-19(22-12-11-16-7-2-1-3-8-16)15-23-18-10-5-4-9-17(18)21(20(23)25)26-13-6-14-27-21/h1-5,7-10H,6,11-15H2,(H,22,24).
What are the key properties of 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide?
2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3240781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).