(4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene

C20H23N3O — CID 3034442

IUPAC(4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
SMILESCCOc1ccc(/N=N/C=C2/N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C20H23N3O/c1-5-24-16-12-10-15(11-13-16)22-21-14-19-20(2,3)17-8-6-7-9-18(17)23(19)4/h6-14H,5H2,1-4H3/b19-14+,22-21+
InChIKeyLOAGDQRAMKGXBH-KIOXBDSISA-N
MW321.42 g/mol
LogP5.44
Rot. Bonds4

About (4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene

(4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene (PubChem CID 3034442) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
PubChem CID3034442
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
SMILESCCOc1ccc(/N=N/C=C2/N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C20H23N3O/c1-5-24-16-12-10-15(11-13-16)22-21-14-19-20(2,3)17-8-6-7-9-18(17)23(19)4/h6-14H,5H2,1-4H3/b19-14+,22-21+
InChIKeyLOAGDQRAMKGXBH-KIOXBDSISA-N
XLogP5.44
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene?
The IUPAC name of (4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene (CID 3034442) is (4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene.
What is the SMILES notation for (4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene?
The canonical SMILES for (4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene is CCOc1ccc(/N=N/C=C2/N(C)c3ccccc3C2(C)C)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene?
The InChIKey is LOAGDQRAMKGXBH-KIOXBDSISA-N. The full InChI is InChI=1S/C20H23N3O/c1-5-24-16-12-10-15(11-13-16)22-21-14-19-20(2,3)17-8-6-7-9-18(17)23(19)4/h6-14H,5H2,1-4H3/b19-14+,22-21+.
What are the key properties of (4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene?
(4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene has a molecular weight of 321.42 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene is sourced from PubChem (CID 3034442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).