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

C21H22N2O4 — CID 113210255

IUPACmethyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)(C)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C21H22N2O4/c1-21(2,16-12-22-17-10-9-13(26-3)11-15(16)17)20(25)23-18-8-6-5-7-14(18)19(24)27-4/h5-12,22H,1-4H3,(H,23,25)
InChIKeyBZZVIQRNLXMUDO-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.88
Rot. Bonds5

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

methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate (PubChem CID 113210255) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
PubChem CID113210255
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Namemethyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)(C)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C21H22N2O4/c1-21(2,16-12-22-17-10-9-13(26-3)11-15(16)17)20(25)23-18-8-6-5-7-14(18)19(24)27-4/h5-12,22H,1-4H3,(H,23,25)
InChIKeyBZZVIQRNLXMUDO-UHFFFAOYSA-N
XLogP3.88
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]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

Related Compounds

methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113209989
N-(2,4-dimethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210213
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209687
N-(5-chloro-2-methoxyphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210235
ethyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210009
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 113210095
N-cyclopentyl-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210132
2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 113208438
2-(5-methoxy-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113210171
methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113204904
N-(2-ethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208450
N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210143

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate (CID 113210255) is methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C(C)(C)c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate?
The InChIKey is BZZVIQRNLXMUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-21(2,16-12-22-17-10-9-13(26-3)11-15(16)17)20(25)23-18-8-6-5-7-14(18)19(24)27-4/h5-12,22H,1-4H3,(H,23,25).
What are the key properties of methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate?
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate has a molecular weight of 366.42 g/mol, XLogP of 3.88, 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)-2-methylpropanoyl]amino]benzoate is sourced from PubChem (CID 113210255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).