[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate

C21H26N4O6 — CID 46641081

IUPAC[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
SMILESCNC(=O)NC(=O)C(OC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C21H26N4O6/c1-22-19(29)23-17(27)16(14-8-4-2-5-9-14)31-15(26)10-13-25-18(28)21(24-20(25)30)11-6-3-7-12-21/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3,(H,24,30)(H2,22,23,27,29)
InChIKeyAXWOHUIDGXVGTG-UHFFFAOYSA-N
MW430.46 g/mol
LogP1.37
Rot. Bonds6

About [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate

[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate (PubChem CID 46641081) has the molecular formula C21H26N4O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
PubChem CID46641081
Molecular FormulaC21H26N4O6
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
SMILESCNC(=O)NC(=O)C(OC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C21H26N4O6/c1-22-19(29)23-17(27)16(14-8-4-2-5-9-14)31-15(26)10-13-25-18(28)21(24-20(25)30)11-6-3-7-12-21/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3,(H,24,30)(H2,22,23,27,29)
InChIKeyAXWOHUIDGXVGTG-UHFFFAOYSA-N
XLogP1.37
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8657966
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 8965336
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 8965324
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7705811
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 9061305
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 7776199
N-[(S)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150830
N-[(R)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150834
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide
CID 26663131
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate
CID 9139594
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
CID 7228141
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(methylcarbamoyl)acetamide
CID 2633637

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate (CID 46641081) is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate is CNC(=O)NC(=O)C(OC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate?
The InChIKey is AXWOHUIDGXVGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6/c1-22-19(29)23-17(27)16(14-8-4-2-5-9-14)31-15(26)10-13-25-18(28)21(24-20(25)30)11-6-3-7-12-21/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3,(H,24,30)(H2,22,23,27,29).
What are the key properties of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate?
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate has a molecular weight of 430.46 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate is sourced from PubChem (CID 46641081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).