[(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate

C23H24N2O5 — CID 71604696

IUPAC[(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate
SMILESC=C(c1ccc2c(c1)c(/C=N/OC(C)=O)cn2C)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C23H24N2O5/c1-14(18-8-10-21(27-4)23(29-6)22(18)28-5)16-7-9-20-19(11-16)17(13-25(20)3)12-24-30-15(2)26/h7-13H,1H2,2-6H3/b24-12+
InChIKeyGVGXZEPZNZUPJL-WYMPLXKRSA-N
MW408.45 g/mol
LogP4.16
Rot. Bonds7

About [(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate

[(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate (PubChem CID 71604696) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate.

Molecular Properties

Compound Name[(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate
PubChem CID71604696
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate
SMILESC=C(c1ccc2c(c1)c(/C=N/OC(C)=O)cn2C)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C23H24N2O5/c1-14(18-8-10-21(27-4)23(29-6)22(18)28-5)16-7-9-20-19(11-16)17(13-25(20)3)12-24-30-15(2)26/h7-13H,1H2,2-6H3/b24-12+
InChIKeyGVGXZEPZNZUPJL-WYMPLXKRSA-N
XLogP4.16
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate?
The IUPAC name of [(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate (CID 71604696) is [(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate.
What is the SMILES notation for [(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate?
The canonical SMILES for [(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate is C=C(c1ccc2c(c1)c(/C=N/OC(C)=O)cn2C)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of [(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate?
The InChIKey is GVGXZEPZNZUPJL-WYMPLXKRSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-14(18-8-10-21(27-4)23(29-6)22(18)28-5)16-7-9-20-19(11-16)17(13-25(20)3)12-24-30-15(2)26/h7-13H,1H2,2-6H3/b24-12+.
What are the key properties of [(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate?
[(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate has a molecular weight of 408.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indol-3-yl]methylideneamino] acetate is sourced from PubChem (CID 71604696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).