3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

C18H23NO4 — CID 66797656

IUPAC3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCCc1ccc(C)cc1C1=C(O)C2(CCN(OC)CC2)OC1=O
InChIInChI=1S/C18H23NO4/c1-4-13-6-5-12(2)11-14(13)15-16(20)18(23-17(15)21)7-9-19(22-3)10-8-18/h5-6,11,20H,4,7-10H2,1-3H3
InChIKeyQCWLZYWHJPROAH-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.78
Rot. Bonds3

About 3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 66797656) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID66797656
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCCc1ccc(C)cc1C1=C(O)C2(CCN(OC)CC2)OC1=O
InChIInChI=1S/C18H23NO4/c1-4-13-6-5-12(2)11-14(13)15-16(20)18(23-17(15)21)7-9-19(22-3)10-8-18/h5-6,11,20H,4,7-10H2,1-3H3
InChIKeyQCWLZYWHJPROAH-UHFFFAOYSA-N
XLogP2.78
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 66797656) is 3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is CCc1ccc(C)cc1C1=C(O)C2(CCN(OC)CC2)OC1=O.
What is the InChIKey of 3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is QCWLZYWHJPROAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-4-13-6-5-12(2)11-14(13)15-16(20)18(23-17(15)21)7-9-19(22-3)10-8-18/h5-6,11,20H,4,7-10H2,1-3H3.
What are the key properties of 3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 317.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 66797656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).