methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate

C26H26N2O5 — CID 142154585

IUPACmethyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate
SMILESCCc1c(C(O)C(N)=O)c2c(OCC(=O)OC)cc3ccccc3c2n1Cc1ccccc1
InChIInChI=1S/C26H26N2O5/c1-3-19-22(25(30)26(27)31)23-20(33-15-21(29)32-2)13-17-11-7-8-12-18(17)24(23)28(19)14-16-9-5-4-6-10-16/h4-13,25,30H,3,14-15H2,1-2H3,(H2,27,31)
InChIKeyDMYXELGOCMEODD-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.48
Rot. Bonds8

About methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate

methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate (PubChem CID 142154585) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate
PubChem CID142154585
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Namemethyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate
SMILESCCc1c(C(O)C(N)=O)c2c(OCC(=O)OC)cc3ccccc3c2n1Cc1ccccc1
InChIInChI=1S/C26H26N2O5/c1-3-19-22(25(30)26(27)31)23-20(33-15-21(29)32-2)13-17-11-7-8-12-18(17)24(23)28(19)14-16-9-5-4-6-10-16/h4-13,25,30H,3,14-15H2,1-2H3,(H2,27,31)
InChIKeyDMYXELGOCMEODD-UHFFFAOYSA-N
XLogP3.48
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate 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

methyl 2-(1-benzyl-2-ethyl-3-oxamoylbenzo[g]indol-4-yl)oxyacetate
CID 10275279
methyl 2-(1-benzyl-2-ethylbenzo[g]indol-4-yl)oxyacetate;methyl 2-(1-benzyl-2-ethyl-3-oxamoylbenzo[g]indol-4-yl)oxyacetate
CID 159717028
methyl 2-[7-(3-amino-3-oxoprop-1-en-2-yl)-11-benzylbenzo[a]carbazol-6-yl]oxyacetate
CID 20769054
2-[1-benzyl-2-ethyl-3-[2-(methylamino)-2-oxoacetyl]benzo[g]indol-4-yl]oxyacetic acid
CID 24951187
2-[1-[[3-(4-fluorophenyl)phenyl]methyl]-2-methyl-3-oxamoylbenzo[g]indol-4-yl]oxyacetic acid;methyl 2-[1-[[3-(4-fluorophenyl)phenyl]methyl]-2-methyl-3-oxamoylbenzo[g]indol-4-yl]oxyacetate
CID 159767961
methyl 2-[1-[[3-(4-fluorophenyl)phenyl]methyl]-2-methyl-3-oxamoylbenzo[g]indol-4-yl]oxyacetate
CID 10208405
2-[7-(2-amino-2-oxoethyl)-11-benzylbenzo[a]carbazol-6-yl]oxyacetic acid
CID 20769027
2-[3-(2-amino-1,2-dihydroxyethyl)-1-benzyl-2-ethyl-6-methylindol-4-yl]oxyacetic acid
CID 70009669
methyl 2-[1-benzyl-3-(C-carbamoyl-N-methylcarbonimidoyl)-2-ethylindol-4-yl]oxyacetate
CID 20637280
dimethyl (2S)-2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]butanedioate
CID 59101573
methyl 2-(1-benzyl-2-cyclopropylindol-4-yl)oxyacetate
CID 10568807
methyl 2-(1-benzylindol-2-yl)acetate
CID 165356079

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate?
The IUPAC name of methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate (CID 142154585) is methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate is CCc1c(C(O)C(N)=O)c2c(OCC(=O)OC)cc3ccccc3c2n1Cc1ccccc1.
What is the InChIKey of methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate?
The InChIKey is DMYXELGOCMEODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-3-19-22(25(30)26(27)31)23-20(33-15-21(29)32-2)13-17-11-7-8-12-18(17)24(23)28(19)14-16-9-5-4-6-10-16/h4-13,25,30H,3,14-15H2,1-2H3,(H2,27,31).
What are the key properties of methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate?
methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate has a molecular weight of 446.50 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-amino-1-hydroxy-2-oxoethyl)-1-benzyl-2-ethylbenzo[g]indol-4-yl]oxyacetate is sourced from PubChem (CID 142154585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).