2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one

C22H24N2O3 — CID 131662035

IUPAC2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1cccc(N2CC3(CCN(C(=O)COc4ccccc4)C3)CC2=O)c1
InChIInChI=1S/C22H24N2O3/c1-17-6-5-7-18(12-17)24-16-22(13-20(24)25)10-11-23(15-22)21(26)14-27-19-8-3-2-4-9-19/h2-9,12H,10-11,13-16H2,1H3
InChIKeyYCLVVSGAPWIEBS-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.03
Rot. Bonds4

About 2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one

2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131662035) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131662035
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1cccc(N2CC3(CCN(C(=O)COc4ccccc4)C3)CC2=O)c1
InChIInChI=1S/C22H24N2O3/c1-17-6-5-7-18(12-17)24-16-22(13-20(24)25)10-11-23(15-22)21(26)14-27-19-8-3-2-4-9-19/h2-9,12H,10-11,13-16H2,1H3
InChIKeyYCLVVSGAPWIEBS-UHFFFAOYSA-N
XLogP3.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 134070625
7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134073060
7-[2-(dimethylamino)acetyl]-2-(3-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155854850
2-(4-methylphenyl)-7-(2-phenylacetyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134070621
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41162791
7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131652638
2-[[(3R)-3-methyl-1-[2-(3-methylphenoxy)acetyl]pyrrolidin-3-yl]amino]acetic acid
CID 129338561
3-oxo-2-phenyl-N-propan-2-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118741086
2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120422
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746498

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131662035) is 2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1cccc(N2CC3(CCN(C(=O)COc4ccccc4)C3)CC2=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is YCLVVSGAPWIEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-17-6-5-7-18(12-17)24-16-22(13-20(24)25)10-11-23(15-22)21(26)14-27-19-8-3-2-4-9-19/h2-9,12H,10-11,13-16H2,1H3.
What are the key properties of 2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one?
2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 364.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131662035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).