2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile

C17H24N2O2 — CID 103489758

IUPAC2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile
SMILESCCOCC(C)OCC(C#N)(NC1CC1)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-3-20-11-14(2)21-13-17(12-18,19-16-9-10-16)15-7-5-4-6-8-15/h4-8,14,16,19H,3,9-11,13H2,1-2H3
InChIKeyURJVGPJUEJXMIL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.60
Rot. Bonds9

About 2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile

2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile (PubChem CID 103489758) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile
PubChem CID103489758
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile
SMILESCCOCC(C)OCC(C#N)(NC1CC1)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-3-20-11-14(2)21-13-17(12-18,19-16-9-10-16)15-7-5-4-6-8-15/h4-8,14,16,19H,3,9-11,13H2,1-2H3
InChIKeyURJVGPJUEJXMIL-UHFFFAOYSA-N
XLogP2.60
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 103491096
4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 103489776
2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile
CID 63865033
3-(2-methylpentoxy)-2-phenyl-2-(propan-2-ylamino)propanenitrile
CID 103284816
2-phenyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanenitrile
CID 63685486
2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile
CID 103489757
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 106204090
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile
CID 55041215
2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol
CID 116695403
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 82006099
4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
CID 116692830

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile (CID 103489758) is 2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile is CCOCC(C)OCC(C#N)(NC1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile?
The InChIKey is URJVGPJUEJXMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-20-11-14(2)21-13-17(12-18,19-16-9-10-16)15-7-5-4-6-8-15/h4-8,14,16,19H,3,9-11,13H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile?
2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile has a molecular weight of 288.39 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile is sourced from PubChem (CID 103489758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).