[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate

C22H23NO4 — CID 7185937

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate
SMILESCCc1cccc2c(C(=O)COC(=O)CCCOc3ccccc3)c[nH]c12
InChIInChI=1S/C22H23NO4/c1-2-16-8-6-11-18-19(14-23-22(16)18)20(24)15-27-21(25)12-7-13-26-17-9-4-3-5-10-17/h3-6,8-11,14,23H,2,7,12-13,15H2,1H3
InChIKeyWTBWZCCKXKPILP-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.32
Rot. Bonds9

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate (PubChem CID 7185937) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate
PubChem CID7185937
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate
SMILESCCc1cccc2c(C(=O)COC(=O)CCCOc3ccccc3)c[nH]c12
InChIInChI=1S/C22H23NO4/c1-2-16-8-6-11-18-19(14-23-22(16)18)20(24)15-27-21(25)12-7-13-26-17-9-4-3-5-10-17/h3-6,8-11,14,23H,2,7,12-13,15H2,1H3
InChIKeyWTBWZCCKXKPILP-UHFFFAOYSA-N
XLogP4.32
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate 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

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659172
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871052
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2128394
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8947395
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 18280151
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842536
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 7856439
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767738
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 46826896
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 8002292
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 18286411
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671719

Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate (CID 7185937) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate is CCc1cccc2c(C(=O)COC(=O)CCCOc3ccccc3)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate?
The InChIKey is WTBWZCCKXKPILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-2-16-8-6-11-18-19(14-23-22(16)18)20(24)15-27-21(25)12-7-13-26-17-9-4-3-5-10-17/h3-6,8-11,14,23H,2,7,12-13,15H2,1H3.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate has a molecular weight of 365.43 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate is sourced from PubChem (CID 7185937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).