2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one

C18H24ClNO4 — CID 71785134

IUPAC2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C18H24ClNO4/c1-17(2,24-15-6-4-14(19)5-7-15)16(21)20-10-8-18(9-11-20)22-12-3-13-23-18/h4-7H,3,8-13H2,1-2H3
InChIKeyXXWMZYBFVSBUAH-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.25
Rot. Bonds3

About 2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one

2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one (PubChem CID 71785134) has the molecular formula C18H24ClNO4 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one
PubChem CID71785134
Molecular FormulaC18H24ClNO4
Molecular Weight353.85 g/mol
Exact Mass353.14
IUPAC Name2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C18H24ClNO4/c1-17(2,24-15-6-4-14(19)5-7-15)16(21)20-10-8-18(9-11-20)22-12-3-13-23-18/h4-7H,3,8-13H2,1-2H3
InChIKeyXXWMZYBFVSBUAH-UHFFFAOYSA-N
XLogP3.25
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one (CID 71785134) is 2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one is CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)OCCCO2.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one?
The InChIKey is XXWMZYBFVSBUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO4/c1-17(2,24-15-6-4-14(19)5-7-15)16(21)20-10-8-18(9-11-20)22-12-3-13-23-18/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one?
2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one has a molecular weight of 353.85 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one is sourced from PubChem (CID 71785134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).