[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate

C26H23NO3 — CID 7718003

IUPAC[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate
SMILESCCc1cccc2c(C(=O)[C@@H](OC(=O)c3ccccc3C)c3ccccc3)c[nH]c12
InChIInChI=1S/C26H23NO3/c1-3-18-13-9-15-21-22(16-27-23(18)21)24(28)25(19-11-5-4-6-12-19)30-26(29)20-14-8-7-10-17(20)2/h4-16,25,27H,3H2,1-2H3/t25-/m0/s1
InChIKeyAURZJGUIMVRDSY-VWLOTQADSA-N
MW397.47 g/mol
LogP5.82
Rot. Bonds6

About [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate

[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate (PubChem CID 7718003) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate.

Molecular Properties

Compound Name[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate
PubChem CID7718003
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate
SMILESCCc1cccc2c(C(=O)[C@@H](OC(=O)c3ccccc3C)c3ccccc3)c[nH]c12
InChIInChI=1S/C26H23NO3/c1-3-18-13-9-15-21-22(16-27-23(18)21)24(28)25(19-11-5-4-6-12-19)30-26(29)20-14-8-7-10-17(20)2/h4-16,25,27H,3H2,1-2H3/t25-/m0/s1
InChIKeyAURZJGUIMVRDSY-VWLOTQADSA-N
XLogP5.82
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate 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

[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] (2S)-2-phenylbutanoate
CID 7811434
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate
CID 7654657
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate
CID 4571389
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 2479594
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 25377470
(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339292
(2S)-2-benzylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 7599064
2-(butylamino)-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 4849520
1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone
CID 4851610
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7765173
N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide
CID 4826075

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate?
The IUPAC name of [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate (CID 7718003) is [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate.
What is the SMILES notation for [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate?
The canonical SMILES for [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate is CCc1cccc2c(C(=O)[C@@H](OC(=O)c3ccccc3C)c3ccccc3)c[nH]c12.
What is the InChIKey of [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate?
The InChIKey is AURZJGUIMVRDSY-VWLOTQADSA-N. The full InChI is InChI=1S/C26H23NO3/c1-3-18-13-9-15-21-22(16-27-23(18)21)24(28)25(19-11-5-4-6-12-19)30-26(29)20-14-8-7-10-17(20)2/h4-16,25,27H,3H2,1-2H3/t25-/m0/s1.
What are the key properties of [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate?
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate has a molecular weight of 397.47 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate is sourced from PubChem (CID 7718003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).