methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate

C24H34N2O6 — CID 46664481

IUPACmethyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(O)COc1ccc(C(=O)OC)cc1)C2=O
InChIInChI=1S/C24H34N2O6/c1-5-23(2,3)17-10-12-24(13-11-17)21(29)26(22(30)25-24)14-18(27)15-32-19-8-6-16(7-9-19)20(28)31-4/h6-9,17-18,27H,5,10-15H2,1-4H3,(H,25,30)
InChIKeyVWMPPYRXXXGLKN-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.13
Rot. Bonds8

About methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate

methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate (PubChem CID 46664481) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate
PubChem CID46664481
Molecular FormulaC24H34N2O6
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC Namemethyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(O)COc1ccc(C(=O)OC)cc1)C2=O
InChIInChI=1S/C24H34N2O6/c1-5-23(2,3)17-10-12-24(13-11-17)21(29)26(22(30)25-24)14-18(27)15-32-19-8-6-16(7-9-19)20(28)31-4/h6-9,17-18,27H,5,10-15H2,1-4H3,(H,25,30)
InChIKeyVWMPPYRXXXGLKN-UHFFFAOYSA-N
XLogP3.13
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
CID 18125644
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18288515
N-(4-ethoxyphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987168
3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 18086921
3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 31569830
3-[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26482215
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 55395084
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
4-[3-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-2-hydroxypropoxy]benzonitrile
CID 18086925
N-[(1S)-2-methoxy-1-phenylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 52522358
3-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 26011422
methyl 4-[3-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]benzoate
CID 47094642

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate?
The IUPAC name of methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate (CID 46664481) is methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate.
What is the SMILES notation for methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate?
The canonical SMILES for methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(O)COc1ccc(C(=O)OC)cc1)C2=O.
What is the InChIKey of methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate?
The InChIKey is VWMPPYRXXXGLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6/c1-5-23(2,3)17-10-12-24(13-11-17)21(29)26(22(30)25-24)14-18(27)15-32-19-8-6-16(7-9-19)20(28)31-4/h6-9,17-18,27H,5,10-15H2,1-4H3,(H,25,30).
What are the key properties of methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate?
methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate has a molecular weight of 446.54 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate is sourced from PubChem (CID 46664481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).