[(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C24H32N4O6 — CID 97063584

IUPAC[(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESC[C@@H](OC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C24H32N4O6/c1-15(19(30)26-21(32)25-17-8-6-5-7-9-17)34-18(29)14-28-20(31)24(27-22(28)33)12-10-16(11-13-24)23(2,3)4/h5-9,15-16H,10-14H2,1-4H3,(H,27,33)(H2,25,26,30,32)/t15-,16?,24?/m1/s1
InChIKeyDLCGYLXOGIBREG-MAXOOXIKSA-N
MW472.54 g/mol
LogP2.79
Rot. Bonds5

About [(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 97063584) has the molecular formula C24H32N4O6 and a molecular weight of 472.54 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID97063584
Molecular FormulaC24H32N4O6
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC Name[(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESC[C@@H](OC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C24H32N4O6/c1-15(19(30)26-21(32)25-17-8-6-5-7-9-17)34-18(29)14-28-20(31)24(27-22(28)33)12-10-16(11-13-24)23(2,3)4/h5-9,15-16H,10-14H2,1-4H3,(H,27,33)(H2,25,26,30,32)/t15-,16?,24?/m1/s1
InChIKeyDLCGYLXOGIBREG-MAXOOXIKSA-N
XLogP2.79
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 52.79
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

[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 46803627
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 46624173
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 8565941
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7898127
[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 92784210
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47093948
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55355365
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 4854974
[(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
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 42986942
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821390
4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 55990684

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of [(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 97063584) is [(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for [(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for [(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is C[C@@H](OC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)C(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is DLCGYLXOGIBREG-MAXOOXIKSA-N. The full InChI is InChI=1S/C24H32N4O6/c1-15(19(30)26-21(32)25-17-8-6-5-7-9-17)34-18(29)14-28-20(31)24(27-22(28)33)12-10-16(11-13-24)23(2,3)4/h5-9,15-16H,10-14H2,1-4H3,(H,27,33)(H2,25,26,30,32)/t15-,16?,24?/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
[(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 472.54 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 97063584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).