4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile

C20H29N3O2 — CID 14715

IUPAC4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile
SMILESN#CC(CCN1CCOCC1)(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C20H29N3O2/c21-18-20(19-4-2-1-3-5-19,6-8-22-10-14-24-15-11-22)7-9-23-12-16-25-17-13-23/h1-5H,6-17H2
InChIKeyFMAUXVWPDOEKAZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.89
Rot. Bonds7

About 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile

4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile (PubChem CID 14715) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile.

Molecular Properties

Compound Name4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile
PubChem CID14715
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile
SMILESN#CC(CCN1CCOCC1)(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C20H29N3O2/c21-18-20(19-4-2-1-3-5-19,6-8-22-10-14-24-15-11-22)7-9-23-12-16-25-17-13-23/h1-5H,6-17H2
InChIKeyFMAUXVWPDOEKAZ-UHFFFAOYSA-N
XLogP1.89
TPSA48.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-Diphenylethyl)morpholine
CID 240345
4-(3-Phenylbutyl)morpholine
CID 2845822
4-[3-(4-Tert-butylphenyl)propyl]morpholine
CID 137643283
Mls002638304
CID 224580
4-(Morpholin-4-yl)-2,2-diphenylbutanenitrile
CID 228568
Morpholine, 4-((1-phenylcyclohexyl)methyl)-
CID 567602
(2R,6R)-4-[3-(4-tert-butylphenyl)propyl]-2,6-dimethylmorpholine
CID 137639103
4-[3-(4-Tert-butylphenyl)propyl]-2,6-dimethylmorpholine
CID 137661600
1-Naphthaleneacetonitrile, alpha-sec-butyl-alpha-(2-morpholinoethyl)-
CID 14713
2-Methyl-4-(morpholin-4-yl)-2-phenylbutanenitrile
CID 15022
1-Naphthaleneacetonitrile, alpha-methyl-alpha-(2-morpholinoethyl)-
CID 18120
Valeronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl-
CID 200909

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile?
The IUPAC name of 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile (CID 14715) is 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile.
What is the SMILES notation for 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile?
The canonical SMILES for 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile is N#CC(CCN1CCOCC1)(CCN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile?
The InChIKey is FMAUXVWPDOEKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-18-20(19-4-2-1-3-5-19,6-8-22-10-14-24-15-11-22)7-9-23-12-16-25-17-13-23/h1-5H,6-17H2.
What are the key properties of 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile?
4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile has a molecular weight of 343.47 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile is sourced from PubChem (CID 14715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).