3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile

C16H22N2O2 — CID 64904853

IUPAC3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCOCCOCCNC1CC(C#N)(c2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-19-9-10-20-8-7-18-15-11-16(12-15,13-17)14-5-3-2-4-6-14/h2-6,15,18H,7-12H2,1H3
InChIKeyMVNAUBCZGHOIRD-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.86
Rot. Bonds8

About 3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile

3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile (PubChem CID 64904853) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile
PubChem CID64904853
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCOCCOCCNC1CC(C#N)(c2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-19-9-10-20-8-7-18-15-11-16(12-15,13-17)14-5-3-2-4-6-14/h2-6,15,18H,7-12H2,1H3
InChIKeyMVNAUBCZGHOIRD-UHFFFAOYSA-N
XLogP1.86
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.86
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

3-(3-methoxypropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64904843
3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102612701
3-(butylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64905853
3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide
CID 64905863
4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide
CID 64906287
3-(4-hydroxybutylamino)-1-phenylcyclobutane-1-carbonitrile
CID 106840979
3-(but-2-ynylamino)-1-phenylcyclobutane-1-carbonitrile
CID 113464533
3-[3-[methyl(propan-2-yl)amino]propylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102612403
3-(4-hydroxypentylamino)-1-phenylcyclobutane-1-carbonitrile
CID 107270220
3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102612624
3-[(1-methylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102613024
3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102612942

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile (CID 64904853) is 3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile is COCCOCCNC1CC(C#N)(c2ccccc2)C1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is MVNAUBCZGHOIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-19-9-10-20-8-7-18-15-11-16(12-15,13-17)14-5-3-2-4-6-14/h2-6,15,18H,7-12H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile?
3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 274.36 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 64904853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).