ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate

C23H22N2O4 — CID 16749195

IUPACethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(C(=O)OCC)cc34)c2c1
InChIInChI=1S/C23H22N2O4/c1-3-28-22(26)14-5-7-20-18(10-14)16(12-24-20)9-17-13-25-21-8-6-15(11-19(17)21)23(27)29-4-2/h5-8,10-13,24-25H,3-4,9H2,1-2H3
InChIKeyGDAFRHYZIFKZRM-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.59
Rot. Bonds6

About ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate

ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate (PubChem CID 16749195) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate
PubChem CID16749195
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Nameethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(C(=O)OCC)cc34)c2c1
InChIInChI=1S/C23H22N2O4/c1-3-28-22(26)14-5-7-20-18(10-14)16(12-24-20)9-17-13-25-21-8-6-15(11-19(17)21)23(27)29-4-2/h5-8,10-13,24-25H,3-4,9H2,1-2H3
InChIKeyGDAFRHYZIFKZRM-UHFFFAOYSA-N
XLogP4.59
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate?
The IUPAC name of ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate (CID 16749195) is ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate.
What is the SMILES notation for ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate?
The canonical SMILES for ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate is CCOC(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(C(=O)OCC)cc34)c2c1.
What is the InChIKey of ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate?
The InChIKey is GDAFRHYZIFKZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-3-28-22(26)14-5-7-20-18(10-14)16(12-24-20)9-17-13-25-21-8-6-15(11-19(17)21)23(27)29-4-2/h5-8,10-13,24-25H,3-4,9H2,1-2H3.
What are the key properties of ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate?
ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate is sourced from PubChem (CID 16749195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).