(2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone

C17H23NO5 — CID 90537355

IUPAC(2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESCOc1cccc(C(=O)N2CC3(COC(C)(C)OC3)C2)c1OC
InChIInChI=1S/C17H23NO5/c1-16(2)22-10-17(11-23-16)8-18(9-17)15(19)12-6-5-7-13(20-3)14(12)21-4/h5-7H,8-11H2,1-4H3
InChIKeyPPYQZLBZOMGJMO-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.93
Rot. Bonds3

About (2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone

(2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone (PubChem CID 90537355) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
PubChem CID90537355
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name(2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESCOc1cccc(C(=O)N2CC3(COC(C)(C)OC3)C2)c1OC
InChIInChI=1S/C17H23NO5/c1-16(2)22-10-17(11-23-16)8-18(9-17)15(19)12-6-5-7-13(20-3)14(12)21-4/h5-7H,8-11H2,1-4H3
InChIKeyPPYQZLBZOMGJMO-UHFFFAOYSA-N
XLogP1.93
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone with MolForge

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Related Compounds

(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone
CID 90537313
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 90537453
CID 163403651
CID 163403651
[4-(1-adamantyl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 6468657
1-(2,3-dimethoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433253
(4aS,8aR)-6-(2,3-dimethoxybenzoyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-4a-carboxylic acid
CID 56901790
(2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 146068110
1-(2,3-dimethoxybenzoyl)-1,4-diazepan-5-one
CID 60707925
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779
(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647989
[3-(chloromethyl)pyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 63396306
(2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 69429777

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone (CID 90537355) is (2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone is COc1cccc(C(=O)N2CC3(COC(C)(C)OC3)C2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The InChIKey is PPYQZLBZOMGJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-16(2)22-10-17(11-23-16)8-18(9-17)15(19)12-6-5-7-13(20-3)14(12)21-4/h5-7H,8-11H2,1-4H3.
What are the key properties of (2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone?
(2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone has a molecular weight of 321.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone is sourced from PubChem (CID 90537355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).