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

C20H30N2O5 — CID 13016654

IUPAC8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccccc1OCC(O)CN1CCC2(CC1)CN(C(C)C)C(=O)O2
InChIInChI=1S/C20H30N2O5/c1-15(2)22-14-20(27-19(22)24)8-10-21(11-9-20)12-16(23)13-26-18-7-5-4-6-17(18)25-3/h4-7,15-16,23H,8-14H2,1-3H3
InChIKeyWXINZISFHVSNEM-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.13
Rot. Bonds7

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

8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 13016654) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID13016654
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccccc1OCC(O)CN1CCC2(CC1)CN(C(C)C)C(=O)O2
InChIInChI=1S/C20H30N2O5/c1-15(2)22-14-20(27-19(22)24)8-10-21(11-9-20)12-16(23)13-26-18-7-5-4-6-17(18)25-3/h4-7,15-16,23H,8-14H2,1-3H3
InChIKeyWXINZISFHVSNEM-UHFFFAOYSA-N
XLogP2.13
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 13016654) is 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COc1ccccc1OCC(O)CN1CCC2(CC1)CN(C(C)C)C(=O)O2.
What is the InChIKey of 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WXINZISFHVSNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-15(2)22-14-20(27-19(22)24)8-10-21(11-9-20)12-16(23)13-26-18-7-5-4-6-17(18)25-3/h4-7,15-16,23H,8-14H2,1-3H3.
What are the key properties of 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 378.47 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 13016654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).