methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate

C28H26N2O7 — CID 46786349

IUPACmethyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)C(=O)c2cn(Cc3cccc(OC)c3)c3ccccc23)cc1OC
InChIInChI=1S/C28H26N2O7/c1-34-20-8-6-7-18(13-20)15-30-16-22(21-9-4-5-10-23(21)30)27(32)28(33)29-19-11-12-24(25(14-19)35-2)37-17-26(31)36-3/h4-14,16H,15,17H2,1-3H3,(H,29,33)
InChIKeyNFSPYOPXLCAOTP-UHFFFAOYSA-N
MW502.52 g/mol
LogP4.08
Rot. Bonds10

About methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate

methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate (PubChem CID 46786349) has the molecular formula C28H26N2O7 and a molecular weight of 502.52 g/mol. Its IUPAC name is methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate
PubChem CID46786349
Molecular FormulaC28H26N2O7
Molecular Weight502.52 g/mol
Exact Mass502.17
IUPAC Namemethyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)C(=O)c2cn(Cc3cccc(OC)c3)c3ccccc23)cc1OC
InChIInChI=1S/C28H26N2O7/c1-34-20-8-6-7-18(13-20)15-30-16-22(21-9-4-5-10-23(21)30)27(32)28(33)29-19-11-12-24(25(14-19)35-2)37-17-26(31)36-3/h4-14,16H,15,17H2,1-3H3,(H,29,33)
InChIKeyNFSPYOPXLCAOTP-UHFFFAOYSA-N
XLogP4.08
TPSA105.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate with MolForge

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Related Compounds

2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155797600
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141
methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate
CID 142695112
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate
CID 127042246
N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
CID 46786091
N-(1,3-benzodioxol-5-yl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
CID 46786093
(2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 91073519
1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide
CID 166984969
2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144411
chloro (2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoate
CID 68812855
1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide
CID 11718287

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate (CID 46786349) is methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)C(=O)c2cn(Cc3cccc(OC)c3)c3ccccc23)cc1OC.
What is the InChIKey of methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate?
The InChIKey is NFSPYOPXLCAOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O7/c1-34-20-8-6-7-18(13-20)15-30-16-22(21-9-4-5-10-23(21)30)27(32)28(33)29-19-11-12-24(25(14-19)35-2)37-17-26(31)36-3/h4-14,16H,15,17H2,1-3H3,(H,29,33).
What are the key properties of methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate?
methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate has a molecular weight of 502.52 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate is sourced from PubChem (CID 46786349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).