ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate

C26H24N2O5 — CID 3731101

IUPACethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N2O5/c1-3-33-24(29)23-22(20-16-19(32-2)14-15-21(20)27-23)28-25(30)26(31,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,27,31H,3H2,1-2H3,(H,28,30)
InChIKeyJRAXIWIJLCNVKX-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.23
Rot. Bonds7

About ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate

ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate (PubChem CID 3731101) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate
PubChem CID3731101
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Nameethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N2O5/c1-3-33-24(29)23-22(20-16-19(32-2)14-15-21(20)27-23)28-25(30)26(31,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,27,31H,3H2,1-2H3,(H,28,30)
InChIKeyJRAXIWIJLCNVKX-UHFFFAOYSA-N
XLogP4.23
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate with MolForge

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Related Compounds

ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
CID 6615701
[2-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
CID 6944330
ethyl 5-methoxy-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]-1H-indole-2-carboxylate
CID 3799403
ethyl 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylate
CID 3470366
ethyl 3-[[2-[2,2-dimethoxyethyl(methyl)amino]acetyl]amino]-5-methoxy-1H-indole-2-carboxylate
CID 4207566
ethyl 5-methoxy-3-[[2-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 6985611
ethyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate
CID 3839135
ethyl 3-[(2,5-dimethoxyphenyl)carbamothioylamino]-1H-indole-2-carboxylate
CID 2157265
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
CID 100981715
[anilino(methylsulfanyl)methylidene]-[2-(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)ethyl]azanium
CID 23244765
ethyl 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate
CID 5258884
ethyl 3-[3-(3,5-dimethylpiperidin-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate
CID 3784517

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate (CID 3731101) is ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate?
The InChIKey is JRAXIWIJLCNVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-3-33-24(29)23-22(20-16-19(32-2)14-15-21(20)27-23)28-25(30)26(31,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,27,31H,3H2,1-2H3,(H,28,30).
What are the key properties of ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate?
ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate has a molecular weight of 444.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 3731101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).