methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate

C19H18N2O4 — CID 113209687

IUPACmethyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C19H18N2O4/c1-24-13-7-8-16-15(10-13)12(11-20-16)9-18(22)21-17-6-4-3-5-14(17)19(23)25-2/h3-8,10-11,20H,9H2,1-2H3,(H,21,22)
InChIKeyLRFYBYKYNZADDZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.14
Rot. Bonds5

About methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate

methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate (PubChem CID 113209687) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
PubChem CID113209687
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C19H18N2O4/c1-24-13-7-8-16-15(10-13)12(11-20-16)9-18(22)21-17-6-4-3-5-14(17)19(23)25-2/h3-8,10-11,20H,9H2,1-2H3,(H,21,22)
InChIKeyLRFYBYKYNZADDZ-UHFFFAOYSA-N
XLogP3.14
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209690
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210255
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate
CID 110428322
N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712
N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 110910870
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78873256
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-(2-ethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208450
2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide
CID 110700282
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate (CID 113209687) is methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate?
The InChIKey is LRFYBYKYNZADDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-13-7-8-16-15(10-13)12(11-20-16)9-18(22)21-17-6-4-3-5-14(17)19(23)25-2/h3-8,10-11,20H,9H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate?
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 113209687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).