ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate

C26H26N4O6 — CID 71513334

IUPACethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(NC(=O)CCC(=O)Nc3ccc4[nH]c(C(=O)OCC)cc4c3)ccc2[nH]1
InChIInChI=1S/C26H26N4O6/c1-3-35-25(33)21-13-15-11-17(5-7-19(15)29-21)27-23(31)9-10-24(32)28-18-6-8-20-16(12-18)14-22(30-20)26(34)36-4-2/h5-8,11-14,29-30H,3-4,9-10H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyFFLGIEBDROWVQN-UHFFFAOYSA-N
MW490.52 g/mol
LogP4.36
Rot. Bonds9

About ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate

ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate (PubChem CID 71513334) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
PubChem CID71513334
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC Nameethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(NC(=O)CCC(=O)Nc3ccc4[nH]c(C(=O)OCC)cc4c3)ccc2[nH]1
InChIInChI=1S/C26H26N4O6/c1-3-35-25(33)21-13-15-11-17(5-7-19(15)29-21)27-23(31)9-10-24(32)28-18-6-8-20-16(12-18)14-22(30-20)26(34)36-4-2/h5-8,11-14,29-30H,3-4,9-10H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyFFLGIEBDROWVQN-UHFFFAOYSA-N
XLogP4.36
TPSA142.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate 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

ethyl 5-[[2-[(4-methylphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylate
CID 71460930
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethyl 5-[[4-(4-acetylpiperazin-1-yl)-2-amino-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
CID 175145443
ethyl 5-[[1-(3-hydroxy-4-methoxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxylate
CID 163883552
ethyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxylate
CID 16752708
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 5-[(7-methoxyisoquinoline-3-carbonyl)amino]-1H-indole-2-carboxylate
CID 10596479
ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
ethyl 5-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1H-indole-2-carboxylate
CID 126493458
ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate
CID 143092050
ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate
CID 146012562

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate (CID 71513334) is ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(NC(=O)CCC(=O)Nc3ccc4[nH]c(C(=O)OCC)cc4c3)ccc2[nH]1.
What is the InChIKey of ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate?
The InChIKey is FFLGIEBDROWVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O6/c1-3-35-25(33)21-13-15-11-17(5-7-19(15)29-21)27-23(31)9-10-24(32)28-18-6-8-20-16(12-18)14-22(30-20)26(34)36-4-2/h5-8,11-14,29-30H,3-4,9-10H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate?
ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate has a molecular weight of 490.52 g/mol, XLogP of 4.36, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 71513334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).