2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile

C20H20N2O2 — CID 51197764

IUPAC2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile
SMILESCC1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC(C)O1
InChIInChI=1S/C20H20N2O2/c1-14-12-22(13-15(2)24-14)20(23)19-10-6-5-9-18(19)17-8-4-3-7-16(17)11-21/h3-10,14-15H,12-13H2,1-2H3
InChIKeyGFLYYYCAOXIPKC-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.47
Rot. Bonds2

About 2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile

2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile (PubChem CID 51197764) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile
PubChem CID51197764
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile
SMILESCC1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC(C)O1
InChIInChI=1S/C20H20N2O2/c1-14-12-22(13-15(2)24-14)20(23)19-10-6-5-9-18(19)17-8-4-3-7-16(17)11-21/h3-10,14-15H,12-13H2,1-2H3
InChIKeyGFLYYYCAOXIPKC-UHFFFAOYSA-N
XLogP3.47
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile?
The IUPAC name of 2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile (CID 51197764) is 2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile?
The canonical SMILES for 2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile is CC1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC(C)O1.
What is the InChIKey of 2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile?
The InChIKey is GFLYYYCAOXIPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-12-22(13-15(2)24-14)20(23)19-10-6-5-9-18(19)17-8-4-3-7-16(17)11-21/h3-10,14-15H,12-13H2,1-2H3.
What are the key properties of 2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile?
2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile has a molecular weight of 320.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile is sourced from PubChem (CID 51197764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).