2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile

C16H22N2O — CID 17765

IUPAC2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile
SMILESCCC(C#N)(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-2-16(14-17,15-6-4-3-5-7-15)8-9-18-10-12-19-13-11-18/h3-7H,2,8-13H2,1H3
InChIKeyRQNNBMVBEQZRGU-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.58
Rot. Bonds5

About 2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile

2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile (PubChem CID 17765) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile
PubChem CID17765
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile
SMILESCCC(C#N)(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-2-16(14-17,15-6-4-3-5-7-15)8-9-18-10-12-19-13-11-18/h3-7H,2,8-13H2,1H3
InChIKeyRQNNBMVBEQZRGU-UHFFFAOYSA-N
XLogP2.58
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fenpropimorph
CID 93365
Amorolfine
CID 54260
1-Methyl-4-phenylpiperidine-4-carbonitrile
CID 62513
4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine
CID 91695
Amorolfine hydrochloride
CID 54259
Morpholino(phenyl)acetonitrile
CID 85812
4-(2,2-Diphenylethyl)morpholine
CID 240345
4-(3-Phenylpropyl)morpholine
CID 782728
4-(3-Phenylbutyl)morpholine
CID 2845822
3-[(1S,5R)-8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile bromide
CID 68859731
(S)-cis-fenpropimorph
CID 11833620
Morpholine, 4-(2-phenylethyl)-
CID 411956

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile?
The IUPAC name of 2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile (CID 17765) is 2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile.
What is the SMILES notation for 2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile?
The canonical SMILES for 2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile is CCC(C#N)(CCN1CCOCC1)c1ccccc1.
What is the InChIKey of 2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile?
The InChIKey is RQNNBMVBEQZRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-16(14-17,15-6-4-3-5-7-15)8-9-18-10-12-19-13-11-18/h3-7H,2,8-13H2,1H3.
What are the key properties of 2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile?
2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile has a molecular weight of 258.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile is sourced from PubChem (CID 17765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).