(2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone

C16H23NO4 — CID 112507460

IUPAC(2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CC(C)OCC1(C)C
InChIInChI=1S/C16H23NO4/c1-11-9-17(16(2,3)10-21-11)15(18)14-12(19-4)7-6-8-13(14)20-5/h6-8,11H,9-10H2,1-5H3
InChIKeyMGTOIRRWKDWIFZ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.34
Rot. Bonds3

About (2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone

(2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone (PubChem CID 112507460) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone
PubChem CID112507460
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CC(C)OCC1(C)C
InChIInChI=1S/C16H23NO4/c1-11-9-17(16(2,3)10-21-11)15(18)14-12(19-4)7-6-8-13(14)20-5/h6-8,11H,9-10H2,1-5H3
InChIKeyMGTOIRRWKDWIFZ-UHFFFAOYSA-N
XLogP2.34
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
(2,6-dimethoxyphenyl)-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)methanone
CID 110740794
1-(3,4-dimethoxyphenyl)-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110624484
1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone
CID 97108997
N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide
CID 110353783
(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-(2,6-dimethoxyphenyl)methanone
CID 69121998
(3,4-dimethoxyphenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327523
(2,5-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methanone
CID 110727631
(2,6-dimethoxyphenyl)-(4-hydroxy-1,2-oxazolidin-2-yl)methanone
CID 112736663
3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide
CID 86816066
1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110624414
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone (CID 112507460) is (2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone is COc1cccc(OC)c1C(=O)N1CC(C)OCC1(C)C.
What is the InChIKey of (2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone?
The InChIKey is MGTOIRRWKDWIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-9-17(16(2,3)10-21-11)15(18)14-12(19-4)7-6-8-13(14)20-5/h6-8,11H,9-10H2,1-5H3.
What are the key properties of (2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone?
(2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone has a molecular weight of 293.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 112507460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).