(2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone

C17H22Cl2N2O2 — CID 155568194

IUPAC(2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone
SMILESCC(C)N1CCC2(CC1)OCCN2C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H22Cl2N2O2/c1-12(2)20-8-6-17(7-9-20)21(10-11-23-17)16(22)15-13(18)4-3-5-14(15)19/h3-5,12H,6-11H2,1-2H3
InChIKeyVDCMDZMIXCIIFH-UHFFFAOYSA-N
MW357.28 g/mol
LogP3.67
Rot. Bonds2

About (2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone

(2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone (PubChem CID 155568194) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone
PubChem CID155568194
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name(2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone
SMILESCC(C)N1CCC2(CC1)OCCN2C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H22Cl2N2O2/c1-12(2)20-8-6-17(7-9-20)21(10-11-23-17)16(22)15-13(18)4-3-5-14(15)19/h3-5,12H,6-11H2,1-2H3
InChIKeyVDCMDZMIXCIIFH-UHFFFAOYSA-N
XLogP3.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone?
The IUPAC name of (2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone (CID 155568194) is (2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone?
The canonical SMILES for (2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone is CC(C)N1CCC2(CC1)OCCN2C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone?
The InChIKey is VDCMDZMIXCIIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-12(2)20-8-6-17(7-9-20)21(10-11-23-17)16(22)15-13(18)4-3-5-14(15)19/h3-5,12H,6-11H2,1-2H3.
What are the key properties of (2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone?
(2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone has a molecular weight of 357.28 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone is sourced from PubChem (CID 155568194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).