4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile

C17H26N2O2 — CID 103489776

IUPAC4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile
SMILESCCNC(C#N)(CCOC(C)COCC)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-4-19-17(14-18,16-9-7-6-8-10-16)11-12-21-15(3)13-20-5-2/h6-10,15,19H,4-5,11-13H2,1-3H3
InChIKeyLSUQYMOBGLJBKY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.85
Rot. Bonds10

About 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile

4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile (PubChem CID 103489776) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile
PubChem CID103489776
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile
SMILESCCNC(C#N)(CCOC(C)COCC)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-4-19-17(14-18,16-9-7-6-8-10-16)11-12-21-15(3)13-20-5-2/h6-10,15,19H,4-5,11-13H2,1-3H3
InChIKeyLSUQYMOBGLJBKY-UHFFFAOYSA-N
XLogP2.85
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile
CID 116693006
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894
2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile
CID 103489758
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
CID 116692941
4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
CID 116692830
2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile
CID 63686596
2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958723
2-(ethylamino)-4-methylsulfanyl-2-phenylbutanenitrile
CID 116693238
2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692501
2-(ethylamino)-3-(3-methylbutylsulfanyl)-2-phenylpropanenitrile
CID 107755086

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile (CID 103489776) is 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile is CCNC(C#N)(CCOC(C)COCC)c1ccccc1.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile?
The InChIKey is LSUQYMOBGLJBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19-17(14-18,16-9-7-6-8-10-16)11-12-21-15(3)13-20-5-2/h6-10,15,19H,4-5,11-13H2,1-3H3.
What are the key properties of 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile?
4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile has a molecular weight of 290.41 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile is sourced from PubChem (CID 103489776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).