methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate

C26H23NO4 — CID 142695112

IUPACmethyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1cccc(OCC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1
InChIInChI=1S/C26H23NO4/c1-30-26(29)15-20-10-7-11-21(14-20)31-18-25(28)23-17-27(16-19-8-3-2-4-9-19)24-13-6-5-12-22(23)24/h2-14,17H,15-16,18H2,1H3
InChIKeyDTVWREPHWNPDSU-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.67
Rot. Bonds8

About methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate

methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate (PubChem CID 142695112) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate
PubChem CID142695112
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Namemethyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1cccc(OCC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1
InChIInChI=1S/C26H23NO4/c1-30-26(29)15-20-10-7-11-21(14-20)31-18-25(28)23-17-27(16-19-8-3-2-4-9-19)24-13-6-5-12-22(23)24/h2-14,17H,15-16,18H2,1H3
InChIKeyDTVWREPHWNPDSU-UHFFFAOYSA-N
XLogP4.67
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate
CID 46786349
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380761
2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155797600
2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340241
1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide
CID 166984969
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide
CID 55564494
N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
CID 3978712
1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide
CID 11718287
1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone
CID 21380759
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate (CID 142695112) is methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate is COC(=O)Cc1cccc(OCC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1.
What is the InChIKey of methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate?
The InChIKey is DTVWREPHWNPDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-30-26(29)15-20-10-7-11-21(14-20)31-18-25(28)23-17-27(16-19-8-3-2-4-9-19)24-13-6-5-12-22(23)24/h2-14,17H,15-16,18H2,1H3.
What are the key properties of methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate?
methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate has a molecular weight of 413.47 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate is sourced from PubChem (CID 142695112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).