2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile

C16H20N2O3 — CID 94069919

IUPAC2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile
SMILESC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)[C@H](C)CO1
InChIInChI=1S/C16H20N2O3/c1-11-10-20-12(2)9-18(11)16(19)13(3)21-15-7-5-4-6-14(15)8-17/h4-7,11-13H,9-10H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyRTUHTTMHLPKQQS-JHJVBQTASA-N
MW288.35 g/mol
LogP1.96
Rot. Bonds3

About 2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile

2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile (PubChem CID 94069919) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile
PubChem CID94069919
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile
SMILESC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)[C@H](C)CO1
InChIInChI=1S/C16H20N2O3/c1-11-10-20-12(2)9-18(11)16(19)13(3)21-15-7-5-4-6-14(15)8-17/h4-7,11-13H,9-10H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyRTUHTTMHLPKQQS-JHJVBQTASA-N
XLogP1.96
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile with MolForge

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Related Compounds

(2S)-1-[(2S)-2-(2-cyanophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 95766784
(2S)-1-[(2R)-2-(2-cyanophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 95766785
2-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 66291798
2-[1-[2-(2-hydroxyethyl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 110887926
2-[(2R)-1-(4-acetyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 94069833
2-[2-(2-cyanophenoxy)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196203
2-[3-(2,5-dimethylmorpholin-4-yl)-2-hydroxypropoxy]benzonitrile
CID 43544577
2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide
CID 56797155
2-[(2S)-1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 95759344
2-[(2S)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 95759342
(2,5-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methanone
CID 110727631
2-[1-[(2S)-oxiran-2-yl]ethoxy]benzonitrile
CID 86640575

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile?
The IUPAC name of 2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile (CID 94069919) is 2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile.
What is the SMILES notation for 2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile?
The canonical SMILES for 2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile is C[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)[C@H](C)CO1.
What is the InChIKey of 2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile?
The InChIKey is RTUHTTMHLPKQQS-JHJVBQTASA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-10-20-12(2)9-18(11)16(19)13(3)21-15-7-5-4-6-14(15)8-17/h4-7,11-13H,9-10H2,1-3H3/t11-,12-,13-/m1/s1.
What are the key properties of 2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile?
2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile has a molecular weight of 288.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]oxybenzonitrile is sourced from PubChem (CID 94069919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).