4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile

C17H26N2O2 — CID 116692809

IUPAC4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile
SMILESCCCCOCCOCCC(C#N)(NC)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-3-4-11-20-13-14-21-12-10-17(15-18,19-2)16-8-6-5-7-9-16/h5-9,19H,3-4,10-14H2,1-2H3
InChIKeyOEQAWNVVXFPFSC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.85
Rot. Bonds11

About 4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile

4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile (PubChem CID 116692809) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile
PubChem CID116692809
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile
SMILESCCCCOCCOCCC(C#N)(NC)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-3-4-11-20-13-14-21-12-10-17(15-18,19-2)16-8-6-5-7-9-16/h5-9,19H,3-4,10-14H2,1-2H3
InChIKeyOEQAWNVVXFPFSC-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-butoxy-2-(methylamino)-2-phenylbutanenitrile
CID 116692934
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
CID 116692941
3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile
CID 103404528
2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
4-(cyclopentylmethoxy)-2-(methylamino)-2-phenylbutanenitrile
CID 116692999
4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
CID 116692830
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
3-(3-methoxy-3-methylbutoxy)-2-(methylamino)-2-phenylpropanenitrile
CID 106666625
2-(methylamino)-4-(oxan-4-ylmethoxy)-2-phenylbutanenitrile
CID 116692967
2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile
CID 63686596
2-phenyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanenitrile
CID 63685486
2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958723

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile?
The IUPAC name of 4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile (CID 116692809) is 4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile.
What is the SMILES notation for 4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile?
The canonical SMILES for 4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile is CCCCOCCOCCC(C#N)(NC)c1ccccc1.
What is the InChIKey of 4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile?
The InChIKey is OEQAWNVVXFPFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-11-20-13-14-21-12-10-17(15-18,19-2)16-8-6-5-7-9-16/h5-9,19H,3-4,10-14H2,1-2H3.
What are the key properties of 4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile?
4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile 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-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile is sourced from PubChem (CID 116692809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).