1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone

C18H25NO4 — CID 110771686

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone
SMILESCOc1cc(C)cc(C)c1CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H25NO4/c1-13-10-14(2)15(16(11-13)21-3)12-17(20)19-6-4-18(5-7-19)22-8-9-23-18/h10-11H,4-9,12H2,1-3H3
InChIKeyAFFVZCRGLLONCI-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.22
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone (PubChem CID 110771686) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone
PubChem CID110771686
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone
SMILESCOc1cc(C)cc(C)c1CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H25NO4/c1-13-10-14(2)15(16(11-13)21-3)12-17(20)19-6-4-18(5-7-19)22-8-9-23-18/h10-11H,4-9,12H2,1-3H3
InChIKeyAFFVZCRGLLONCI-UHFFFAOYSA-N
XLogP2.22
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 110764959
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2,4,5-trimethylphenyl)ethanone
CID 110769614
2-(2-methoxy-4,6-dimethylphenyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110804625
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 110801925
2-(2-methoxy-4,6-dimethylphenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110810009
2-(2-methoxy-4,6-dimethylphenyl)-1-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110816968
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 112994213
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110770175
2-(3,4-dimethylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 112977915
N-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113180332
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
CID 17250139
2-(3,4-dimethylphenyl)sulfanyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 86924832

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone (CID 110771686) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone is COc1cc(C)cc(C)c1CC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone?
The InChIKey is AFFVZCRGLLONCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13-10-14(2)15(16(11-13)21-3)12-17(20)19-6-4-18(5-7-19)22-8-9-23-18/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone has a molecular weight of 319.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone is sourced from PubChem (CID 110771686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).