N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide

C21H22N2O5 — CID 5115291

IUPACN-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)cc1
InChIInChI=1S/C21H22N2O5/c1-2-26-16-10-8-15(9-11-16)22-19(24)14-23-18-7-4-3-6-17(18)21(20(23)25)27-12-5-13-28-21/h3-4,6-11H,2,5,12-14H2,1H3,(H,22,24)
InChIKeyWFWVWFPCWLYPRV-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.66
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide

N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide (PubChem CID 5115291) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
PubChem CID5115291
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)cc1
InChIInChI=1S/C21H22N2O5/c1-2-26-16-10-8-15(9-11-16)22-19(24)14-23-18-7-4-3-6-17(18)21(20(23)25)27-12-5-13-28-21/h3-4,6-11H,2,5,12-14H2,1H3,(H,22,24)
InChIKeyWFWVWFPCWLYPRV-UHFFFAOYSA-N
XLogP2.66
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884261
1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884280
1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9191054
2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetate
CID 1247232
2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 53144266
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878126
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)acetamide
CID 6469271
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889643
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 3155220
2-[(1R,2S,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 23197999
N-(4-ethoxyphenyl)-2-(3-methyl-2,3-dihydroindol-1-yl)acetamide
CID 78900025

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide (CID 5115291) is N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide is CCOc1ccc(NC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide?
The InChIKey is WFWVWFPCWLYPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-2-26-16-10-8-15(9-11-16)22-19(24)14-23-18-7-4-3-6-17(18)21(20(23)25)27-12-5-13-28-21/h3-4,6-11H,2,5,12-14H2,1H3,(H,22,24).
What are the key properties of N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide?
N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide has a molecular weight of 382.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide is sourced from PubChem (CID 5115291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).