(4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium

C18H22N2O2 — CID 21449610

IUPAC(4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium
SMILESCCCCc1ccc(/[N+]([O-])=N/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-5-6-15-7-11-17(12-8-15)20(21)19-16-9-13-18(14-10-16)22-4-2/h7-14H,3-6H2,1-2H3/b20-19-
InChIKeyIIFGLHBUASDGNB-VXPUYCOJSA-N
MW298.39 g/mol
LogP5.35
Rot. Bonds7

About (4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium

(4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium (PubChem CID 21449610) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium.

Molecular Properties

Compound Name(4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium
PubChem CID21449610
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium
SMILESCCCCc1ccc(/[N+]([O-])=N/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-5-6-15-7-11-17(12-8-15)20(21)19-16-9-13-18(14-10-16)22-4-2/h7-14H,3-6H2,1-2H3/b20-19-
InChIKeyIIFGLHBUASDGNB-VXPUYCOJSA-N
XLogP5.35
TPSA47.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-butylphenyl)-[4-(2-methylbutoxy)phenyl]imino-oxidoazanium
CID 86056798
oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium
CID 177416222
(4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium
CID 12609942
(4-heptoxyphenyl)imino-oxido-(4-propoxyphenyl)azanium
CID 177449528
(4-octoxyphenyl)imino-oxido-(4-propoxyphenyl)azanium
CID 177455412
[4-(2-methylbutyl)phenyl]-oxido-(4-pentoxyphenyl)iminoazanium
CID 71400436
1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene
CID 54365174
1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 170603027
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
[4-(2-chloroethoxy)phenyl]imino-[4-(2-methylbutyl)phenyl]-oxidoazanium
CID 71390246
1-butyl-4-[1-(4-ethoxyphenyl)-2-nitrobutyl]benzene
CID 21495716
1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
CID 4065401

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium?
The IUPAC name of (4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium (CID 21449610) is (4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium.
What is the SMILES notation for (4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium?
The canonical SMILES for (4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium is CCCCc1ccc(/[N+]([O-])=N/c2ccc(OCC)cc2)cc1.
What is the InChIKey of (4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium?
The InChIKey is IIFGLHBUASDGNB-VXPUYCOJSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-5-6-15-7-11-17(12-8-15)20(21)19-16-9-13-18(14-10-16)22-4-2/h7-14H,3-6H2,1-2H3/b20-19-.
What are the key properties of (4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium?
(4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium has a molecular weight of 298.39 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium is sourced from PubChem (CID 21449610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).