[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C19H23N3O5 — CID 7705811

IUPAC[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCN(C)C(=O)[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1
InChIInChI=1S/C19H23N3O5/c1-21(2)16(24)15(13-8-4-3-5-9-13)27-14(23)12-22-17(25)19(20-18(22)26)10-6-7-11-19/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,20,26)/t15-/m0/s1
InChIKeyUVVXDGWDPMZHCZ-HNNXBMFYSA-N
MW373.41 g/mol
LogP1.22
Rot. Bonds5

About [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 7705811) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID7705811
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCN(C)C(=O)[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1
InChIInChI=1S/C19H23N3O5/c1-21(2)16(24)15(13-8-4-3-5-9-13)27-14(23)12-22-17(25)19(20-18(22)26)10-6-7-11-19/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,20,26)/t15-/m0/s1
InChIKeyUVVXDGWDPMZHCZ-HNNXBMFYSA-N
XLogP1.22
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7703955
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7703952
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7715612
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821779
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821600
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7703930
[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 8601060
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate
CID 95631862
[(1S)-1-(2-chlorophenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822161
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-phenylacetamide
CID 2701791
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55392409
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 46641081

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 7705811) is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is CN(C)C(=O)[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1.
What is the InChIKey of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is UVVXDGWDPMZHCZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-21(2)16(24)15(13-8-4-3-5-9-13)27-14(23)12-22-17(25)19(20-18(22)26)10-6-7-11-19/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,20,26)/t15-/m0/s1.
What are the key properties of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 373.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 7705811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).