2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile

C17H22N2O4 — CID 129485679

IUPAC2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
SMILESCOC[C@H]1CN(C(=O)COc2ccccc2C#N)CC(C)(C)O1
InChIInChI=1S/C17H22N2O4/c1-17(2)12-19(9-14(23-17)10-21-3)16(20)11-22-15-7-5-4-6-13(15)8-18/h4-7,14H,9-12H2,1-3H3/t14-/m1/s1
InChIKeyJVOYAKIMEBVOHD-CQSZACIVSA-N
MW318.37 g/mol
LogP1.59
Rot. Bonds5

About 2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile

2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile (PubChem CID 129485679) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
PubChem CID129485679
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
SMILESCOC[C@H]1CN(C(=O)COc2ccccc2C#N)CC(C)(C)O1
InChIInChI=1S/C17H22N2O4/c1-17(2)12-19(9-14(23-17)10-21-3)16(20)11-22-15-7-5-4-6-13(15)8-18/h4-7,14H,9-12H2,1-3H3/t14-/m1/s1
InChIKeyJVOYAKIMEBVOHD-CQSZACIVSA-N
XLogP1.59
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile
CID 35026256
2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129351165
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
3-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzonitrile
CID 129485781
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533289
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one
CID 129486293
1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one
CID 128978656
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 114778686

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile?
The IUPAC name of 2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile (CID 129485679) is 2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile?
The canonical SMILES for 2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile is COC[C@H]1CN(C(=O)COc2ccccc2C#N)CC(C)(C)O1.
What is the InChIKey of 2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile?
The InChIKey is JVOYAKIMEBVOHD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-17(2)12-19(9-14(23-17)10-21-3)16(20)11-22-15-7-5-4-6-13(15)8-18/h4-7,14H,9-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile?
2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile has a molecular weight of 318.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 129485679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).