methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate

C19H18N2O4 — CID 113204904

IUPACmethyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1[nH]c2ccc(OC)cc2c1C
InChIInChI=1S/C19H18N2O4/c1-11-14-10-12(24-2)8-9-16(14)20-17(11)18(22)21-15-7-5-4-6-13(15)19(23)25-3/h4-10,20H,1-3H3,(H,21,22)
InChIKeyIYCSQMQURASOJL-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.52
Rot. Bonds4

About methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate

methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate (PubChem CID 113204904) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate
PubChem CID113204904
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1[nH]c2ccc(OC)cc2c1C
InChIInChI=1S/C19H18N2O4/c1-11-14-10-12(24-2)8-9-16(14)20-17(11)18(22)21-15-7-5-4-6-13(15)19(23)25-3/h4-10,20H,1-3H3,(H,21,22)
InChIKeyIYCSQMQURASOJL-UHFFFAOYSA-N
XLogP3.52
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869
N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204938
ethyl 5-[(2-methoxycarbonylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18082478
N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578341
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209687
N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204882
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210255
5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 113204847
methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
CID 113212824
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204787
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate (CID 113204904) is methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1[nH]c2ccc(OC)cc2c1C.
What is the InChIKey of methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate?
The InChIKey is IYCSQMQURASOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-14-10-12(24-2)8-9-16(14)20-17(11)18(22)21-15-7-5-4-6-13(15)19(23)25-3/h4-10,20H,1-3H3,(H,21,22).
What are the key properties of methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate?
methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 113204904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).