3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H28N2O5 — CID 13016652

IUPAC3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(CC(O)COc3ccccc3OC)CC2)OC1=O
InChIInChI=1S/C19H28N2O5/c1-3-21-14-19(26-18(21)23)8-10-20(11-9-19)12-15(22)13-25-17-7-5-4-6-16(17)24-2/h4-7,15,22H,3,8-14H2,1-2H3
InChIKeyBCLZOBFMLQAXIW-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.74
Rot. Bonds7

About 3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 13016652) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID13016652
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(CC(O)COc3ccccc3OC)CC2)OC1=O
InChIInChI=1S/C19H28N2O5/c1-3-21-14-19(26-18(21)23)8-10-20(11-9-19)12-15(22)13-25-17-7-5-4-6-16(17)24-2/h4-7,15,22H,3,8-14H2,1-2H3
InChIKeyBCLZOBFMLQAXIW-UHFFFAOYSA-N
XLogP1.74
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 13016652) is 3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(CC(O)COc3ccccc3OC)CC2)OC1=O.
What is the InChIKey of 3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BCLZOBFMLQAXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-3-21-14-19(26-18(21)23)8-10-20(11-9-19)12-15(22)13-25-17-7-5-4-6-16(17)24-2/h4-7,15,22H,3,8-14H2,1-2H3.
What are the key properties of 3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 364.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 13016652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).