2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione

C17H22N2O2 — CID 43653750

IUPAC2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCNC(C)c1cccc(N2C(=O)CC3(CCCC3)C2=O)c1
InChIInChI=1S/C17H22N2O2/c1-12(18-2)13-6-5-7-14(10-13)19-15(20)11-17(16(19)21)8-3-4-9-17/h5-7,10,12,18H,3-4,8-9,11H2,1-2H3
InChIKeyXFSHRHCCBFGCEG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.79
Rot. Bonds3

About 2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 43653750) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID43653750
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCNC(C)c1cccc(N2C(=O)CC3(CCCC3)C2=O)c1
InChIInChI=1S/C17H22N2O2/c1-12(18-2)13-6-5-7-14(10-13)19-15(20)11-17(16(19)21)8-3-4-9-17/h5-7,10,12,18H,3-4,8-9,11H2,1-2H3
InChIKeyXFSHRHCCBFGCEG-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43381801
2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43385974
3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzonitrile
CID 43385996
2-[3-[1-(methylamino)ethyl]phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103979923
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde
CID 106913703
2-(3-ethynylphenyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 60977285
2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione
CID 11673993
2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 64793674
2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione
CID 118741544
4-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzene-1,2-dicarbonitrile
CID 107796089
2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60977143
2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107612856

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 43653750) is 2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione is CNC(C)c1cccc(N2C(=O)CC3(CCCC3)C2=O)c1.
What is the InChIKey of 2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is XFSHRHCCBFGCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(18-2)13-6-5-7-14(10-13)19-15(20)11-17(16(19)21)8-3-4-9-17/h5-7,10,12,18H,3-4,8-9,11H2,1-2H3.
What are the key properties of 2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 286.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 43653750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).