1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one

C19H29NO4 — CID 129486293

IUPAC1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one
SMILESCOC[C@@H]1CN(C(=O)C(C)(C)c2ccccc2OC)CC(C)(C)O1
InChIInChI=1S/C19H29NO4/c1-18(2)13-20(11-14(24-18)12-22-5)17(21)19(3,4)15-9-7-8-10-16(15)23-6/h7-10,14H,11-13H2,1-6H3/t14-/m0/s1
InChIKeyZAQWCBFZWHENFU-AWEZNQCLSA-N
MW335.44 g/mol
LogP2.63
Rot. Bonds5

About 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one

1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one (PubChem CID 129486293) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one
PubChem CID129486293
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one
SMILESCOC[C@@H]1CN(C(=O)C(C)(C)c2ccccc2OC)CC(C)(C)O1
InChIInChI=1S/C19H29NO4/c1-18(2)13-20(11-14(24-18)12-22-5)17(21)19(3,4)15-9-7-8-10-16(15)23-6/h7-10,14H,11-13H2,1-6H3/t14-/m0/s1
InChIKeyZAQWCBFZWHENFU-AWEZNQCLSA-N
XLogP2.63
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one with MolForge

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Related Compounds

1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one
CID 128978656
(2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 128989915
2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485675
2-(2-chlorophenoxy)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485526
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
CID 129485528
2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 129485679
2-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]phenoxy]acetonitrile
CID 129484788
2-[2-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]phenoxy]acetonitrile
CID 128978705
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone
CID 129484804
4-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one
CID 129350098
4-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-2-methylisoquinolin-1-one
CID 128969303
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 114778686

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one (CID 129486293) is 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one is COC[C@@H]1CN(C(=O)C(C)(C)c2ccccc2OC)CC(C)(C)O1.
What is the InChIKey of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one?
The InChIKey is ZAQWCBFZWHENFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29NO4/c1-18(2)13-20(11-14(24-18)12-22-5)17(21)19(3,4)15-9-7-8-10-16(15)23-6/h7-10,14H,11-13H2,1-6H3/t14-/m0/s1.
What are the key properties of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one?
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one has a molecular weight of 335.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 129486293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).