(3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone

C14H19NO3 — CID 10901016

IUPAC(3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone
SMILESCOC1C(C)OC(C)CN1C(=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-10-9-15(14(17-3)11(2)18-10)13(16)12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3
InChIKeyZCSCRMYRHWQZQS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.91
Rot. Bonds2

About (3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone

(3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone (PubChem CID 10901016) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone
PubChem CID10901016
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone
SMILESCOC1C(C)OC(C)CN1C(=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-10-9-15(14(17-3)11(2)18-10)13(16)12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3
InChIKeyZCSCRMYRHWQZQS-UHFFFAOYSA-N
XLogP1.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)-phenylmethanone
CID 110740529
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 95157617
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid
CID 53440493
[(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone
CID 699644
(3-methoxymorpholin-4-yl)-phenylmethanone
CID 15379431
[(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone
CID 7329928
ethyl 1-benzoylaziridine-2-carboxylate
CID 121014721
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone?
The IUPAC name of (3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone (CID 10901016) is (3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone.
What is the SMILES notation for (3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone?
The canonical SMILES for (3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone is COC1C(C)OC(C)CN1C(=O)c1ccccc1.
What is the InChIKey of (3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone?
The InChIKey is ZCSCRMYRHWQZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-9-15(14(17-3)11(2)18-10)13(16)12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3.
What are the key properties of (3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone?
(3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone has a molecular weight of 249.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone is sourced from PubChem (CID 10901016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).