3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one

C17H22N2O3 — CID 154021954

IUPAC3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one
SMILESCOC1CCC2(NC1)NC(=O)C(c1cc(C)ccc1C)=C2O
InChIInChI=1S/C17H22N2O3/c1-10-4-5-11(2)13(8-10)14-15(20)17(19-16(14)21)7-6-12(22-3)9-18-17/h4-5,8,12,18,20H,6-7,9H2,1-3H3,(H,19,21)
InChIKeyOHPZWXIRBXRTCO-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.80
Rot. Bonds2

About 3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one

3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 154021954) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one
PubChem CID154021954
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one
SMILESCOC1CCC2(NC1)NC(=O)C(c1cc(C)ccc1C)=C2O
InChIInChI=1S/C17H22N2O3/c1-10-4-5-11(2)13(8-10)14-15(20)17(19-16(14)21)7-6-12(22-3)9-18-17/h4-5,8,12,18,20H,6-7,9H2,1-3H3,(H,19,21)
InChIKeyOHPZWXIRBXRTCO-UHFFFAOYSA-N
XLogP1.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 169451318
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
CID 59141990
3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 59614606
ethyl 3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-ene-4-carboxylate
CID 142775888
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate;ethane
CID 143608016
3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol
CID 141200524
3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 59930873
3-(2,4-dimethylphenyl)-4,8-dihydroxy-1-azaspiro[4.5]dec-3-en-2-one
CID 59076163
4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 54712648
3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 159502766
[4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-yl] ethyl carbonate
CID 71079165
3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 143485126

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one (CID 154021954) is 3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one is COC1CCC2(NC1)NC(=O)C(c1cc(C)ccc1C)=C2O.
What is the InChIKey of 3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is OHPZWXIRBXRTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-10-4-5-11(2)13(8-10)14-15(20)17(19-16(14)21)7-6-12(22-3)9-18-17/h4-5,8,12,18,20H,6-7,9H2,1-3H3,(H,19,21).
What are the key properties of 3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one?
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 154021954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).