N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide

C17H20Cl2N2O4 — CID 113179992

IUPACN-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCC2(CC1)OCCO2)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H20Cl2N2O4/c1-12(22)21(16-13(18)3-2-4-14(16)19)11-15(23)20-7-5-17(6-8-20)24-9-10-25-17/h2-4H,5-11H2,1H3
InChIKeyUJQQHLJZNHUJGK-UHFFFAOYSA-N
MW387.26 g/mol
LogP2.71
Rot. Bonds3

About N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide

N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide (PubChem CID 113179992) has the molecular formula C17H20Cl2N2O4 and a molecular weight of 387.26 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
PubChem CID113179992
Molecular FormulaC17H20Cl2N2O4
Molecular Weight387.26 g/mol
Exact Mass386.08
IUPAC NameN-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCC2(CC1)OCCO2)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H20Cl2N2O4/c1-12(22)21(16-13(18)3-2-4-14(16)19)11-15(23)20-7-5-17(6-8-20)24-9-10-25-17/h2-4H,5-11H2,1H3
InChIKeyUJQQHLJZNHUJGK-UHFFFAOYSA-N
XLogP2.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113168682
N-(2,6-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113179960
N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175931
methyl 2-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate
CID 113176088
N-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113180332
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164001
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-phenylmethanesulfonamide
CID 113153646
N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171118
2-(2-chloro-6-fluorophenyl)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 71806942
N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113178550
N-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 17388082

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide (CID 113179992) is N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCC2(CC1)OCCO2)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide?
The InChIKey is UJQQHLJZNHUJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O4/c1-12(22)21(16-13(18)3-2-4-14(16)19)11-15(23)20-7-5-17(6-8-20)24-9-10-25-17/h2-4H,5-11H2,1H3.
What are the key properties of N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide?
N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide has a molecular weight of 387.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113179992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).