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

C27H25NO3 — CID 7654657

IUPAC[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate
SMILESCCc1cccc2c(C(=O)[C@@H](OC(=O)CCc3ccccc3)c3ccccc3)c[nH]c12
InChIInChI=1S/C27H25NO3/c1-2-20-14-9-15-22-23(18-28-25(20)22)26(30)27(21-12-7-4-8-13-21)31-24(29)17-16-19-10-5-3-6-11-19/h3-15,18,27-28H,2,16-17H2,1H3/t27-/m0/s1
InChIKeyLTVKGBWIYOXQQH-MHZLTWQESA-N
MW411.50 g/mol
LogP5.83
Rot. Bonds8

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

[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate (PubChem CID 7654657) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate
PubChem CID7654657
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate
SMILESCCc1cccc2c(C(=O)[C@@H](OC(=O)CCc3ccccc3)c3ccccc3)c[nH]c12
InChIInChI=1S/C27H25NO3/c1-2-20-14-9-15-22-23(18-28-25(20)22)26(30)27(21-12-7-4-8-13-21)31-24(29)17-16-19-10-5-3-6-11-19/h3-15,18,27-28H,2,16-17H2,1H3/t27-/m0/s1
InChIKeyLTVKGBWIYOXQQH-MHZLTWQESA-N
XLogP5.83
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate 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] 2-methylbenzoate
CID 7718003
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 25377470
(2S)-2-benzylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 7599064
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate
CID 3574939
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] 3-(2-methoxyphenyl)propanoate
CID 7871052
(2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 7599104
N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide
CID 4826075
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate
CID 18205599
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2128394

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate?
The IUPAC name of [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate (CID 7654657) is [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate.
What is the SMILES notation for [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate?
The canonical SMILES for [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate is CCc1cccc2c(C(=O)[C@@H](OC(=O)CCc3ccccc3)c3ccccc3)c[nH]c12.
What is the InChIKey of [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate?
The InChIKey is LTVKGBWIYOXQQH-MHZLTWQESA-N. The full InChI is InChI=1S/C27H25NO3/c1-2-20-14-9-15-22-23(18-28-25(20)22)26(30)27(21-12-7-4-8-13-21)31-24(29)17-16-19-10-5-3-6-11-19/h3-15,18,27-28H,2,16-17H2,1H3/t27-/m0/s1.
What are the key properties of [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate?
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate has a molecular weight of 411.50 g/mol, XLogP of 5.83, 8 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] 3-phenylpropanoate is sourced from PubChem (CID 7654657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).