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

C21H32N2O5 — CID 13016655

IUPAC3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCN1CC2(CCN(CC(O)COc3ccccc3OC)CC2)OC1=O
InChIInChI=1S/C21H32N2O5/c1-3-4-11-23-16-21(28-20(23)25)9-12-22(13-10-21)14-17(24)15-27-19-8-6-5-7-18(19)26-2/h5-8,17,24H,3-4,9-16H2,1-2H3
InChIKeyAXHBFXSQBQSROO-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.52
Rot. Bonds9

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

3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 13016655) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID13016655
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC Name3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCN1CC2(CCN(CC(O)COc3ccccc3OC)CC2)OC1=O
InChIInChI=1S/C21H32N2O5/c1-3-4-11-23-16-21(28-20(23)25)9-12-22(13-10-21)14-17(24)15-27-19-8-6-5-7-18(19)26-2/h5-8,17,24H,3-4,9-16H2,1-2H3
InChIKeyAXHBFXSQBQSROO-UHFFFAOYSA-N
XLogP2.52
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 13016655) is 3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCCN1CC2(CCN(CC(O)COc3ccccc3OC)CC2)OC1=O.
What is the InChIKey of 3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AXHBFXSQBQSROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-3-4-11-23-16-21(28-20(23)25)9-12-22(13-10-21)14-17(24)15-27-19-8-6-5-7-18(19)26-2/h5-8,17,24H,3-4,9-16H2,1-2H3.
What are the key properties of 3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 392.50 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 13016655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).