2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one

C18H23Cl2NO2 — CID 166341270

IUPAC2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one
SMILESCC(C)(C(=O)N1CCC2(CCCCO2)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H23Cl2NO2/c1-17(2,13-5-6-14(19)15(20)11-13)16(22)21-9-8-18(12-21)7-3-4-10-23-18/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyIVMVLDFJAROPRG-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.44
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one

2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one (PubChem CID 166341270) has the molecular formula C18H23Cl2NO2 and a molecular weight of 356.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one
PubChem CID166341270
Molecular FormulaC18H23Cl2NO2
Molecular Weight356.29 g/mol
Exact Mass355.11
IUPAC Name2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one
SMILESCC(C)(C(=O)N1CCC2(CCCCO2)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H23Cl2NO2/c1-17(2,13-5-6-14(19)15(20)11-13)16(22)21-9-8-18(12-21)7-3-4-10-23-18/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyIVMVLDFJAROPRG-UHFFFAOYSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one (CID 166341270) is 2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one is CC(C)(C(=O)N1CCC2(CCCCO2)C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one?
The InChIKey is IVMVLDFJAROPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2NO2/c1-17(2,13-5-6-14(19)15(20)11-13)16(22)21-9-8-18(12-21)7-3-4-10-23-18/h5-6,11H,3-4,7-10,12H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one?
2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one has a molecular weight of 356.29 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-methyl-1-(6-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-one is sourced from PubChem (CID 166341270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).