1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one

C23H24N2O3 — CID 158817436

IUPAC1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one
SMILESCc1cccc(C2CCOC2)c1OCC(=O)C/N=C/c1cccc2[nH]ccc12
InChIInChI=1S/C23H24N2O3/c1-16-4-2-6-21(18-9-11-27-14-18)23(16)28-15-19(26)13-24-12-17-5-3-7-22-20(17)8-10-25-22/h2-8,10,12,18,25H,9,11,13-15H2,1H3/b24-12+
InChIKeyIVLCFKPQFGLEAF-WYMPLXKRSA-N
MW376.46 g/mol
LogP4.05
Rot. Bonds7

About 1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one

1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one (PubChem CID 158817436) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one.

Molecular Properties

Compound Name1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one
PubChem CID158817436
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one
SMILESCc1cccc(C2CCOC2)c1OCC(=O)C/N=C/c1cccc2[nH]ccc12
InChIInChI=1S/C23H24N2O3/c1-16-4-2-6-21(18-9-11-27-14-18)23(16)28-15-19(26)13-24-12-17-5-3-7-22-20(17)8-10-25-22/h2-8,10,12,18,25H,9,11,13-15H2,1H3/b24-12+
InChIKeyIVLCFKPQFGLEAF-WYMPLXKRSA-N
XLogP4.05
TPSA63.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one 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

1-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-3-(1H-indol-4-ylmethylideneamino)propan-2-one
CID 160610955
2-[4-fluoro-2-methyl-6-(oxolan-3-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide
CID 73426775
2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
CID 90004082
2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
CID 90003960
4-(oxolan-3-yl)-1H-benzimidazole
CID 59279276
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
CID 73426665
3-(oxolan-3-yl)-1H-indole
CID 146673552
2-[2,4-dimethyl-6-(oxolan-3-yl)phenoxy]-N-methyl-N-[[4-(2-methyliminoethyl)phenyl]methylideneamino]acetamide
CID 123235926
ethyl 2-ethoxy-3-(1H-indol-4-yl)prop-2-enoate
CID 69280562
1-[2-(oxolan-3-yl)phenyl]propan-2-one
CID 83832522
3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline
CID 166611345
ethyl formate;4-methyl-1H-indole
CID 159042142

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one?
The IUPAC name of 1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one (CID 158817436) is 1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one.
What is the SMILES notation for 1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one?
The canonical SMILES for 1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one is Cc1cccc(C2CCOC2)c1OCC(=O)C/N=C/c1cccc2[nH]ccc12.
What is the InChIKey of 1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one?
The InChIKey is IVLCFKPQFGLEAF-WYMPLXKRSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-4-2-6-21(18-9-11-27-14-18)23(16)28-15-19(26)13-24-12-17-5-3-7-22-20(17)8-10-25-22/h2-8,10,12,18,25H,9,11,13-15H2,1H3/b24-12+.
What are the key properties of 1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one?
1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one has a molecular weight of 376.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one is sourced from PubChem (CID 158817436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).