[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate

C19H18N2O3 — CID 42901001

IUPAC[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OC(C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O3/c1-12(24-19(23)14-8-4-5-9-16(14)20-2)18(22)15-11-21-17-10-6-3-7-13(15)17/h3-12,20-21H,1-2H3
InChIKeyGLXMAGXILJIAQO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.64
Rot. Bonds5

About [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate

[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate (PubChem CID 42901001) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate
PubChem CID42901001
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OC(C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O3/c1-12(24-19(23)14-8-4-5-9-16(14)20-2)18(22)15-11-21-17-10-6-3-7-13(15)17/h3-12,20-21H,1-2H3
InChIKeyGLXMAGXILJIAQO-UHFFFAOYSA-N
XLogP3.64
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 42984081
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 7609192
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(S)-methylsulfinyl]benzoate
CID 11927398
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765061
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765059
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7789907
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 43001103
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 8631199
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 41379117

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate?
The IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate (CID 42901001) is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate.
What is the SMILES notation for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate?
The canonical SMILES for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate is CNc1ccccc1C(=O)OC(C)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate?
The InChIKey is GLXMAGXILJIAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(24-19(23)14-8-4-5-9-16(14)20-2)18(22)15-11-21-17-10-6-3-7-13(15)17/h3-12,20-21H,1-2H3.
What are the key properties of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate?
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate has a molecular weight of 322.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate is sourced from PubChem (CID 42901001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).