N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide

C14H19N3O2 — CID 103598581

IUPACN'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide
SMILESCC(C)CC(N)=NOCCOc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O2/c1-11(2)9-14(16)17-19-8-7-18-13-5-3-12(10-15)4-6-13/h3-6,11H,7-9H2,1-2H3,(H2,16,17)
InChIKeyIDIQXUAVBYRXDL-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.27
Rot. Bonds7

About N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide

N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide (PubChem CID 103598581) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide
PubChem CID103598581
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide
SMILESCC(C)CC(N)=NOCCOc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O2/c1-11(2)9-14(16)17-19-8-7-18-13-5-3-12(10-15)4-6-13/h3-6,11H,7-9H2,1-2H3,(H2,16,17)
InChIKeyIDIQXUAVBYRXDL-UHFFFAOYSA-N
XLogP2.27
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide
CID 76870629
N'-[2-(4-cyanophenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide
CID 60595341
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
(2S)-2-[2-(4-cyanophenoxy)ethoxy]propanoic acid
CID 104875948
(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
CID 70943065
CID 88918404
CID 88918404
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107
4-[tris(2-methylpropyl)silyloxy]benzonitrile
CID 532691
4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
CID 43289507
4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
CID 10572027
2-(4-chlorophenoxy)ethyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977951
2-(4-fluorophenoxy)ethyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977972

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide?
The IUPAC name of N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide (CID 103598581) is N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide is CC(C)CC(N)=NOCCOc1ccc(C#N)cc1.
What is the InChIKey of N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide?
The InChIKey is IDIQXUAVBYRXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(2)9-14(16)17-19-8-7-18-13-5-3-12(10-15)4-6-13/h3-6,11H,7-9H2,1-2H3,(H2,16,17).
What are the key properties of N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide?
N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide has a molecular weight of 261.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyanophenoxy)ethoxy]-3-methylbutanimidamide is sourced from PubChem (CID 103598581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).