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

C23H31N3O6 — CID 56543356

IUPACmethyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(C(=O)OC)c1O)C2=O
InChIInChI=1S/C23H31N3O6/c1-5-22(2,3)14-9-11-23(12-10-14)20(30)26(21(31)25-23)13-17(27)24-16-8-6-7-15(18(16)28)19(29)32-4/h6-8,14,28H,5,9-13H2,1-4H3,(H,24,27)(H,25,31)
InChIKeyYRRSDUPSRUYVDN-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.03
Rot. Bonds6

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

methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate (PubChem CID 56543356) has the molecular formula C23H31N3O6 and a molecular weight of 445.52 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
PubChem CID56543356
Molecular FormulaC23H31N3O6
Molecular Weight445.52 g/mol
Exact Mass445.22
IUPAC Namemethyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(C(=O)OC)c1O)C2=O
InChIInChI=1S/C23H31N3O6/c1-5-22(2,3)14-9-11-23(12-10-14)20(30)26(21(31)25-23)13-17(27)24-16-8-6-7-15(18(16)28)19(29)32-4/h6-8,14,28H,5,9-13H2,1-4H3,(H,24,27)(H,25,31)
InChIKeyYRRSDUPSRUYVDN-UHFFFAOYSA-N
XLogP3.03
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2471932
methyl 2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate
CID 2701716
N-(2,5-dimethylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 84601209
N-(4-ethylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987246
N-(4-chlorophenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2116042
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide
CID 46654985
N-(4-ethoxyphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987168
N-[3-(methanesulfonamido)phenyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 30830922
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
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
N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 4799017
N-(2,3-dihydro-1H-inden-5-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987842

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate (CID 56543356) is methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(C(=O)OC)c1O)C2=O.
What is the InChIKey of methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate?
The InChIKey is YRRSDUPSRUYVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6/c1-5-22(2,3)14-9-11-23(12-10-14)20(30)26(21(31)25-23)13-17(27)24-16-8-6-7-15(18(16)28)19(29)32-4/h6-8,14,28H,5,9-13H2,1-4H3,(H,24,27)(H,25,31).
What are the key properties of methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate?
methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate has a molecular weight of 445.52 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate is sourced from PubChem (CID 56543356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).