2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate

C27H32N2O5 — CID 9499124

IUPAC2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate
SMILESCC(C)N1C(=O)CC2(CCN(CCOC(=O)C(O)(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C27H32N2O5/c1-20(2)29-23(30)19-26(24(29)31)13-15-28(16-14-26)17-18-34-25(32)27(33,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,20,33H,13-19H2,1-2H3
InChIKeyRBFPDPGLEBGIJB-UHFFFAOYSA-N
MW464.56 g/mol
LogP2.72
Rot. Bonds7

About 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate

2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate (PubChem CID 9499124) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate
PubChem CID9499124
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate
SMILESCC(C)N1C(=O)CC2(CCN(CCOC(=O)C(O)(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C27H32N2O5/c1-20(2)29-23(30)19-26(24(29)31)13-15-28(16-14-26)17-18-34-25(32)27(33,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,20,33H,13-19H2,1-2H3
InChIKeyRBFPDPGLEBGIJB-UHFFFAOYSA-N
XLogP2.72
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate
CID 1032854
2-(4-methylpiperazin-1-yl)ethyl 2-(3-chlorophenyl)-2-hydroxy-2-phenylacetate;dihydrochloride
CID 134123095
3-(4-methyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate
CID 134109617
3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate
CID 134094564
tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium
CID 3096626
2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate
CID 68613442
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 16500399
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid
CID 54773487
8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride
CID 121005441
2-(8-methyl-1,3-dioxo-2-propan-2-yl-2-aza-8-azoniaspiro[4.5]decan-8-yl)ethyl 2-(2-oxopyrrolidin-1-yl)acetate
CID 1032853
[(2R)-2-(1,2-oxazol-3-ylmethyl)-4-pyrrolidin-1-ylbutyl] 2-hydroxy-2,2-diphenylacetate
CID 69369416
2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate
CID 4841

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate (CID 9499124) is 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate is CC(C)N1C(=O)CC2(CCN(CCOC(=O)C(O)(c3ccccc3)c3ccccc3)CC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is RBFPDPGLEBGIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-20(2)29-23(30)19-26(24(29)31)13-15-28(16-14-26)17-18-34-25(32)27(33,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,20,33H,13-19H2,1-2H3.
What are the key properties of 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate?
2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 464.56 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 9499124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).