2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione

C18H21Cl2NO4 — CID 75858651

IUPAC2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C18H21Cl2NO4/c19-13-5-4-6-14(20)16(13)25-11-12(22)10-21-15(23)9-18(17(21)24)7-2-1-3-8-18/h4-6,12,22H,1-3,7-11H2
InChIKeyVRBRPQLMYOSNFJ-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.44
Rot. Bonds5

About 2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione

2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 75858651) has the molecular formula C18H21Cl2NO4 and a molecular weight of 386.28 g/mol. Its IUPAC name is 2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID75858651
Molecular FormulaC18H21Cl2NO4
Molecular Weight386.28 g/mol
Exact Mass385.08
IUPAC Name2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C18H21Cl2NO4/c19-13-5-4-6-14(20)16(13)25-11-12(22)10-21-15(23)9-18(17(21)24)7-2-1-3-8-18/h4-6,12,22H,1-3,7-11H2
InChIKeyVRBRPQLMYOSNFJ-UHFFFAOYSA-N
XLogP3.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 31579870
2-[(2R)-2-hydroxy-3-phenoxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 92794551
2-[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 26009717
2-[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 46613471
2-[3-(4-acetylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 18087088
2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 18087097
2-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 46613459
2-[3-(4-ethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18087083
2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 94385512
3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 51134068
2-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 31579986
2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 31580066

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione (CID 75858651) is 2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1CC(O)COc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is VRBRPQLMYOSNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO4/c19-13-5-4-6-14(20)16(13)25-11-12(22)10-21-15(23)9-18(17(21)24)7-2-1-3-8-18/h4-6,12,22H,1-3,7-11H2.
What are the key properties of 2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 386.28 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 75858651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).