7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one

C24H28N2O3 — CID 102558464

IUPAC7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one
SMILESCCc1ccccc1OC(C(=O)N1CCCC2(CNC(=O)C2)C1)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-2-18-9-6-7-12-20(18)29-22(19-10-4-3-5-11-19)23(28)26-14-8-13-24(17-26)15-21(27)25-16-24/h3-7,9-12,22H,2,8,13-17H2,1H3,(H,25,27)
InChIKeyOJIQHNUVTZFAMO-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.50
Rot. Bonds5

About 7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one

7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one (PubChem CID 102558464) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one
PubChem CID102558464
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one
SMILESCCc1ccccc1OC(C(=O)N1CCCC2(CNC(=O)C2)C1)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-2-18-9-6-7-12-20(18)29-22(19-10-4-3-5-11-19)23(28)26-14-8-13-24(17-26)15-21(27)25-16-24/h3-7,9-12,22H,2,8,13-17H2,1H3,(H,25,27)
InChIKeyOJIQHNUVTZFAMO-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

(5S)-7-[(2S)-2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one
CID 99812159
2-(2-ethylphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119397850
N-methyl-3-oxo-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 127368537
(5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438905
(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone
CID 7697331
2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy]benzamide
CID 8001851
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone
CID 102849931
2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448091
2-[[2-(2-ethylphenoxy)-2-phenylacetyl]amino]propanoic acid
CID 119348591
8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 139005270
3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid
CID 119256533
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-2-phenyl-1-piperidin-1-ylethanone
CID 40657752

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one?
The IUPAC name of 7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one (CID 102558464) is 7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one is CCc1ccccc1OC(C(=O)N1CCCC2(CNC(=O)C2)C1)c1ccccc1.
What is the InChIKey of 7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one?
The InChIKey is OJIQHNUVTZFAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-2-18-9-6-7-12-20(18)29-22(19-10-4-3-5-11-19)23(28)26-14-8-13-24(17-26)15-21(27)25-16-24/h3-7,9-12,22H,2,8,13-17H2,1H3,(H,25,27).
What are the key properties of 7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one?
7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one has a molecular weight of 392.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 102558464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).