[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate

C32H25NO4 — CID 6071472

IUPAC[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1ccccc1/C=C(/C(=O)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H25NO4/c1-36-29-19-11-8-16-24(29)20-26(22-12-4-2-5-13-22)32(35)37-31(23-14-6-3-7-15-23)30(34)27-21-33-28-18-10-9-17-25(27)28/h2-21,31,33H,1H3/b26-20+
InChIKeyIPSRPGIPRBTVQA-LHLOQNFPSA-N
MW487.56 g/mol
LogP6.88
Rot. Bonds8

About [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate

[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate (PubChem CID 6071472) has the molecular formula C32H25NO4 and a molecular weight of 487.56 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
PubChem CID6071472
Molecular FormulaC32H25NO4
Molecular Weight487.56 g/mol
Exact Mass487.18
IUPAC Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1ccccc1/C=C(/C(=O)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H25NO4/c1-36-29-19-11-8-16-24(29)20-26(22-12-4-2-5-13-22)32(35)37-31(23-14-6-3-7-15-23)30(34)27-21-33-28-18-10-9-17-25(27)28/h2-21,31,33H,1H3/b26-20+
InChIKeyIPSRPGIPRBTVQA-LHLOQNFPSA-N
XLogP6.88
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate with MolForge

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Related Compounds

[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 2096896
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 16540197
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-methoxy-4-propoxybenzoate
CID 3504563
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 4683135
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-formylbenzoate
CID 7966376
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 3388091
trans-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019706
[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385767
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 2479594
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate
CID 4571389
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate
CID 3574939
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7844226

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate (CID 6071472) is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate is COc1ccccc1/C=C(/C(=O)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The InChIKey is IPSRPGIPRBTVQA-LHLOQNFPSA-N. The full InChI is InChI=1S/C32H25NO4/c1-36-29-19-11-8-16-24(29)20-26(22-12-4-2-5-13-22)32(35)37-31(23-14-6-3-7-15-23)30(34)27-21-33-28-18-10-9-17-25(27)28/h2-21,31,33H,1H3/b26-20+.
What are the key properties of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate has a molecular weight of 487.56 g/mol, XLogP of 6.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate is sourced from PubChem (CID 6071472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).