8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one

C20H29NO4 — CID 58230002

IUPAC8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCOCC1(O)CCC2(CCN(c3ccc(OC(C)C)cc3)C2=O)CC1
InChIInChI=1S/C20H29NO4/c1-15(2)25-17-6-4-16(5-7-17)21-13-12-19(18(21)22)8-10-20(23,11-9-19)14-24-3/h4-7,15,23H,8-14H2,1-3H3
InChIKeyTTXHUFCZAJMBRC-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.15
Rot. Bonds5

About 8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one

8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 58230002) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one
PubChem CID58230002
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCOCC1(O)CCC2(CCN(c3ccc(OC(C)C)cc3)C2=O)CC1
InChIInChI=1S/C20H29NO4/c1-15(2)25-17-6-4-16(5-7-17)21-13-12-19(18(21)22)8-10-20(23,11-9-19)14-24-3/h4-7,15,23H,8-14H2,1-3H3
InChIKeyTTXHUFCZAJMBRC-UHFFFAOYSA-N
XLogP3.15
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one (CID 58230002) is 8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one is COCC1(O)CCC2(CCN(c3ccc(OC(C)C)cc3)C2=O)CC1.
What is the InChIKey of 8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is TTXHUFCZAJMBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-15(2)25-17-6-4-16(5-7-17)21-13-12-19(18(21)22)8-10-20(23,11-9-19)14-24-3/h4-7,15,23H,8-14H2,1-3H3.
What are the key properties of 8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one?
8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 347.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58230002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).