4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile

C17H26N2O2 — CID 116692830

IUPAC4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)(CCOCCOCC)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-3-11-19-17(15-18,16-8-6-5-7-9-16)10-12-21-14-13-20-4-2/h5-9,19H,3-4,10-14H2,1-2H3
InChIKeyPKOHYZUHTPLEGO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.85
Rot. Bonds11

About 4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile

4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile (PubChem CID 116692830) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
PubChem CID116692830
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)(CCOCCOCC)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-3-11-19-17(15-18,16-8-6-5-7-9-16)10-12-21-14-13-20-4-2/h5-9,19H,3-4,10-14H2,1-2H3
InChIKeyPKOHYZUHTPLEGO-UHFFFAOYSA-N
XLogP2.85
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
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

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
CID 116692941
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 106204090
4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile
CID 116692809
4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692325
4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692371
2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile
CID 63686596
4-butoxy-2-(methylamino)-2-phenylbutanenitrile
CID 116692934
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 82006099
2-phenyl-2-(propylamino)-4-pyrazol-1-ylbutanenitrile
CID 116692705
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile?
The IUPAC name of 4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile (CID 116692830) is 4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile?
The canonical SMILES for 4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile is CCCNC(C#N)(CCOCCOCC)c1ccccc1.
What is the InChIKey of 4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile?
The InChIKey is PKOHYZUHTPLEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-11-19-17(15-18,16-8-6-5-7-9-16)10-12-21-14-13-20-4-2/h5-9,19H,3-4,10-14H2,1-2H3.
What are the key properties of 4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile?
4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile has a molecular weight of 290.41 g/mol, XLogP of 2.85, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile is sourced from PubChem (CID 116692830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).