methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate

C25H34N4O6 — CID 55514605

IUPACmethyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O
InChIInChI=1S/C25H34N4O6/c1-16-12-24(2,3)15-25(13-16)22(32)29(23(33)27-25)14-20(30)26-19-6-5-17(11-18(19)21(31)34-4)28-7-9-35-10-8-28/h5-6,11,16H,7-10,12-15H2,1-4H3,(H,26,30)(H,27,33)
InChIKeyXLAUICSAYUYSTD-UHFFFAOYSA-N
MW486.57 g/mol
LogP2.39
Rot. Bonds5

About methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate

methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate (PubChem CID 55514605) has the molecular formula C25H34N4O6 and a molecular weight of 486.57 g/mol. Its IUPAC name is methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate
PubChem CID55514605
Molecular FormulaC25H34N4O6
Molecular Weight486.57 g/mol
Exact Mass486.25
IUPAC Namemethyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O
InChIInChI=1S/C25H34N4O6/c1-16-12-24(2,3)15-25(13-16)22(32)29(23(33)27-25)14-20(30)26-19-6-5-17(11-18(19)21(31)34-4)28-7-9-35-10-8-28/h5-6,11,16H,7-10,12-15H2,1-4H3,(H,26,30)(H,27,33)
InChIKeyXLAUICSAYUYSTD-UHFFFAOYSA-N
XLogP2.39
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41236325
N-(2,4-dimethoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579563
N-(2,4-dimethoxyphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579558
methyl 4-[[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 7741274
N-(2-methoxy-5-methylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579596
N-(4-fluoro-2-methylphenyl)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8864594
N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7923789
N-(2-piperidin-1-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25333245
N-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506
N-(4-acetamidophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18775895
N-(3,5-dimethylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7960983

Frequently Asked Questions

What is the IUPAC name of methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate (CID 55514605) is methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate is COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O.
What is the InChIKey of methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate?
The InChIKey is XLAUICSAYUYSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O6/c1-16-12-24(2,3)15-25(13-16)22(32)29(23(33)27-25)14-20(30)26-19-6-5-17(11-18(19)21(31)34-4)28-7-9-35-10-8-28/h5-6,11,16H,7-10,12-15H2,1-4H3,(H,26,30)(H,27,33).
What are the key properties of methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate?
methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate has a molecular weight of 486.57 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 55514605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).