N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide

C20H27N3O2 — CID 154870902

IUPACN-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide
SMILESCc1cccc2c(CCNC(=O)N3CCOCC4(CC4)C3)cn(C)c12
InChIInChI=1S/C20H27N3O2/c1-15-4-3-5-17-16(12-22(2)18(15)17)6-9-21-19(24)23-10-11-25-14-20(13-23)7-8-20/h3-5,12H,6-11,13-14H2,1-2H3,(H,21,24)
InChIKeySLRJJLJHOGZVOD-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.85
Rot. Bonds3

About N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide

N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide (PubChem CID 154870902) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide
PubChem CID154870902
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide
SMILESCc1cccc2c(CCNC(=O)N3CCOCC4(CC4)C3)cn(C)c12
InChIInChI=1S/C20H27N3O2/c1-15-4-3-5-17-16(12-22(2)18(15)17)6-9-21-19(24)23-10-11-25-14-20(13-23)7-8-20/h3-5,12H,6-11,13-14H2,1-2H3,(H,21,24)
InChIKeySLRJJLJHOGZVOD-UHFFFAOYSA-N
XLogP2.85
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide?
The IUPAC name of N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide (CID 154870902) is N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide.
What is the SMILES notation for N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide?
The canonical SMILES for N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide is Cc1cccc2c(CCNC(=O)N3CCOCC4(CC4)C3)cn(C)c12.
What is the InChIKey of N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide?
The InChIKey is SLRJJLJHOGZVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-4-3-5-17-16(12-22(2)18(15)17)6-9-21-19(24)23-10-11-25-14-20(13-23)7-8-20/h3-5,12H,6-11,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide?
N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide is sourced from PubChem (CID 154870902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).