ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate

C21H28N2O3 — CID 91940042

IUPACethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate
SMILESCCOC(=O)CN1CCC2(CC1)CC(=O)N(CC=Cc1ccccc1)C2
InChIInChI=1S/C21H28N2O3/c1-2-26-20(25)16-22-13-10-21(11-14-22)15-19(24)23(17-21)12-6-9-18-7-4-3-5-8-18/h3-9H,2,10-17H2,1H3
InChIKeyXBCDFLZRVRPELV-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.58
Rot. Bonds6

About ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate

ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate (PubChem CID 91940042) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate
PubChem CID91940042
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Nameethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate
SMILESCCOC(=O)CN1CCC2(CC1)CC(=O)N(CC=Cc1ccccc1)C2
InChIInChI=1S/C21H28N2O3/c1-2-26-20(25)16-22-13-10-21(11-14-22)15-19(24)23(17-21)12-6-9-18-7-4-3-5-8-18/h3-9H,2,10-17H2,1H3
InChIKeyXBCDFLZRVRPELV-UHFFFAOYSA-N
XLogP2.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate with MolForge

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Related Compounds

N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 72911472
propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 72918682
8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940760
methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
CID 91940564
1-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
CID 91939946
8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154898542
8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940856
8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940825
8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940369
8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72887582
8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72905529
8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72843442

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate?
The IUPAC name of ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate (CID 91940042) is ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate.
What is the SMILES notation for ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate?
The canonical SMILES for ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate is CCOC(=O)CN1CCC2(CC1)CC(=O)N(CC=Cc1ccccc1)C2.
What is the InChIKey of ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate?
The InChIKey is XBCDFLZRVRPELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-2-26-20(25)16-22-13-10-21(11-14-22)15-19(24)23(17-21)12-6-9-18-7-4-3-5-8-18/h3-9H,2,10-17H2,1H3.
What are the key properties of ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate?
ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate has a molecular weight of 356.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate is sourced from PubChem (CID 91940042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).