(1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C21H28N2O3 — CID 110159825

IUPAC(1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCCn1cc(C(=O)N2CCC3(CC2)OCCCC3OC)c2ccccc21
InChIInChI=1S/C21H28N2O3/c1-3-22-15-17(16-7-4-5-8-18(16)22)20(24)23-12-10-21(11-13-23)19(25-2)9-6-14-26-21/h4-5,7-8,15,19H,3,6,9-14H2,1-2H3
InChIKeyFJEWYAPMXJZPJL-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.46
Rot. Bonds3

About (1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

(1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 110159825) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID110159825
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCCn1cc(C(=O)N2CCC3(CC2)OCCCC3OC)c2ccccc21
InChIInChI=1S/C21H28N2O3/c1-3-22-15-17(16-7-4-5-8-18(16)22)20(24)23-12-10-21(11-13-23)19(25-2)9-6-14-26-21/h4-5,7-8,15,19H,3,6,9-14H2,1-2H3
InChIKeyFJEWYAPMXJZPJL-UHFFFAOYSA-N
XLogP3.46
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 97201836
(1-ethyl-5-methylpyrazol-4-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 74239484
(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124967902
(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124965745
1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97186942
(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 110108182
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxyphenyl)methanone
CID 125000712
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97198788
[1-(2-fluorophenyl)cyclopropyl]-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124959803
(5R)-N-(furan-2-ylmethyl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 97273108
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 97454136
(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606910

Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 110159825) is (1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is CCn1cc(C(=O)N2CCC3(CC2)OCCCC3OC)c2ccccc21.
What is the InChIKey of (1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is FJEWYAPMXJZPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-3-22-15-17(16-7-4-5-8-18(16)22)20(24)23-12-10-21(11-13-23)19(25-2)9-6-14-26-21/h4-5,7-8,15,19H,3,6,9-14H2,1-2H3.
What are the key properties of (1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 356.47 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 110159825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).