4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile

C16H24N2O2 — CID 116692834

IUPAC4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
SMILESCCNC(C#N)(CCOCCOCC)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-3-18-16(14-17,15-8-6-5-7-9-15)10-11-20-13-12-19-4-2/h5-9,18H,3-4,10-13H2,1-2H3
InChIKeyNEYPJKZOINLSQU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.46
Rot. Bonds10

About 4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile

4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile (PubChem CID 116692834) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
PubChem CID116692834
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
SMILESCCNC(C#N)(CCOCCOCC)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-3-18-16(14-17,15-8-6-5-7-9-15)10-11-20-13-12-19-4-2/h5-9,18H,3-4,10-13H2,1-2H3
InChIKeyNEYPJKZOINLSQU-UHFFFAOYSA-N
XLogP2.46
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
CID 116692830
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
CID 116692941
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894
2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile
CID 63686596
2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958723
4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 103489776
2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile
CID 116693006
2-(ethylamino)-4-methylsulfanyl-2-phenylbutanenitrile
CID 116693238
4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile
CID 116692809
4-butoxy-2-(methylamino)-2-phenylbutanenitrile
CID 116692934
2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692501

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile?
The IUPAC name of 4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile (CID 116692834) is 4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile.
What is the SMILES notation for 4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile?
The canonical SMILES for 4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile is CCNC(C#N)(CCOCCOCC)c1ccccc1.
What is the InChIKey of 4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile?
The InChIKey is NEYPJKZOINLSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18-16(14-17,15-8-6-5-7-9-15)10-11-20-13-12-19-4-2/h5-9,18H,3-4,10-13H2,1-2H3.
What are the key properties of 4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile?
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile has a molecular weight of 276.38 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile is sourced from PubChem (CID 116692834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).