4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one

C24H29NO4 — CID 66803937

IUPAC4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESCc1cc(C)c(C2C(=O)OC3(CCN(OCc4ccccc4)CC3)C2O)c(C)c1
InChIInChI=1S/C24H29NO4/c1-16-13-17(2)20(18(3)14-16)21-22(26)24(29-23(21)27)9-11-25(12-10-24)28-15-19-7-5-4-6-8-19/h4-8,13-14,21-22,26H,9-12,15H2,1-3H3
InChIKeyOJVPHXYRONSYHG-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.58
Rot. Bonds4

About 4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one

4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one (PubChem CID 66803937) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one
PubChem CID66803937
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESCc1cc(C)c(C2C(=O)OC3(CCN(OCc4ccccc4)CC3)C2O)c(C)c1
InChIInChI=1S/C24H29NO4/c1-16-13-17(2)20(18(3)14-16)21-22(26)24(29-23(21)27)9-11-25(12-10-24)28-15-19-7-5-4-6-8-19/h4-8,13-14,21-22,26H,9-12,15H2,1-3H3
InChIKeyOJVPHXYRONSYHG-UHFFFAOYSA-N
XLogP3.58
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one (CID 66803937) is 4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one is Cc1cc(C)c(C2C(=O)OC3(CCN(OCc4ccccc4)CC3)C2O)c(C)c1.
What is the InChIKey of 4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is OJVPHXYRONSYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-16-13-17(2)20(18(3)14-16)21-22(26)24(29-23(21)27)9-11-25(12-10-24)28-15-19-7-5-4-6-8-19/h4-8,13-14,21-22,26H,9-12,15H2,1-3H3.
What are the key properties of 4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one?
4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 395.50 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 66803937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).