4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H25N3O2 — CID 13016625

IUPAC4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC1NC(=O)OC12CCN(CCc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C19H25N3O2/c1-2-17-19(24-18(23)21-17)8-11-22(12-9-19)10-7-14-13-20-16-6-4-3-5-15(14)16/h3-6,13,17,20H,2,7-12H2,1H3,(H,21,23)
InChIKeyKEQCSOQVBUYFKL-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.06
Rot. Bonds4

About 4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 13016625) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID13016625
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC1NC(=O)OC12CCN(CCc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C19H25N3O2/c1-2-17-19(24-18(23)21-17)8-11-22(12-9-19)10-7-14-13-20-16-6-4-3-5-15(14)16/h3-6,13,17,20H,2,7-12H2,1H3,(H,21,23)
InChIKeyKEQCSOQVBUYFKL-UHFFFAOYSA-N
XLogP3.06
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 13016625) is 4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCC1NC(=O)OC12CCN(CCc1c[nH]c3ccccc13)CC2.
What is the InChIKey of 4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KEQCSOQVBUYFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-17-19(24-18(23)21-17)8-11-22(12-9-19)10-7-14-13-20-16-6-4-3-5-15(14)16/h3-6,13,17,20H,2,7-12H2,1H3,(H,21,23).
What are the key properties of 4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 327.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 13016625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).