2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile

C19H26N2O2 — CID 155508248

IUPAC2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile
SMILESCCCC[C@@H]1CN(C(=O)c2ccccc2C#N)C[C@H](C(C)C)O1
InChIInChI=1S/C19H26N2O2/c1-4-5-9-16-12-21(13-18(23-16)14(2)3)19(22)17-10-7-6-8-15(17)11-20/h6-8,10,14,16,18H,4-5,9,12-13H2,1-3H3/t16-,18-/m1/s1
InChIKeyQDQIGBWMZXSEOP-SJLPKXTDSA-N
MW314.43 g/mol
LogP3.61
Rot. Bonds5

About 2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile

2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile (PubChem CID 155508248) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile.

Molecular Properties

Compound Name2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile
PubChem CID155508248
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile
SMILESCCCC[C@@H]1CN(C(=O)c2ccccc2C#N)C[C@H](C(C)C)O1
InChIInChI=1S/C19H26N2O2/c1-4-5-9-16-12-21(13-18(23-16)14(2)3)19(22)17-10-7-6-8-15(17)11-20/h6-8,10,14,16,18H,4-5,9,12-13H2,1-3H3/t16-,18-/m1/s1
InChIKeyQDQIGBWMZXSEOP-SJLPKXTDSA-N
XLogP3.61
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 155912977
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone
CID 155498952
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 134707354
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 137340516
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone
CID 157013660
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 155504162
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 155912826
1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 155500622
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 155510237
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
CID 157020052
[4-[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]piperidin-1-yl]-phenylmethanone;formic acid
CID 155971738
2-(2-butylpyrrolidine-1-carbonyl)benzonitrile
CID 91784458

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile?
The IUPAC name of 2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile (CID 155508248) is 2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile.
What is the SMILES notation for 2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile?
The canonical SMILES for 2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile is CCCC[C@@H]1CN(C(=O)c2ccccc2C#N)C[C@H](C(C)C)O1.
What is the InChIKey of 2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile?
The InChIKey is QDQIGBWMZXSEOP-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-5-9-16-12-21(13-18(23-16)14(2)3)19(22)17-10-7-6-8-15(17)11-20/h6-8,10,14,16,18H,4-5,9,12-13H2,1-3H3/t16-,18-/m1/s1.
What are the key properties of 2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile?
2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile has a molecular weight of 314.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile is sourced from PubChem (CID 155508248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).