methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate

C19H18N2O4 — CID 141490321

IUPACmethyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1cn(OC)c2ccccc12
InChIInChI=1S/C19H18N2O4/c1-24-19(23)15-8-3-5-9-16(15)20-18(22)11-13-12-21(25-2)17-10-6-4-7-14(13)17/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyNGJMDRAYQMMCCB-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.67
Rot. Bonds5

About methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate

methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate (PubChem CID 141490321) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate
PubChem CID141490321
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1cn(OC)c2ccccc12
InChIInChI=1S/C19H18N2O4/c1-24-19(23)15-8-3-5-9-16(15)20-18(22)11-13-12-21(25-2)17-10-6-4-7-14(13)17/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyNGJMDRAYQMMCCB-UHFFFAOYSA-N
XLogP2.67
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate (CID 141490321) is methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1cn(OC)c2ccccc12.
What is the InChIKey of methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate?
The InChIKey is NGJMDRAYQMMCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-19(23)15-8-3-5-9-16(15)20-18(22)11-13-12-21(25-2)17-10-6-4-7-14(13)17/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate?
methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 141490321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).