methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate

C20H18N2O5 — CID 113212824

IUPACmethyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cn(C(C)=O)c2ccc(OC)cc12
InChIInChI=1S/C20H18N2O5/c1-12(23)22-11-16(15-10-13(26-2)8-9-18(15)22)19(24)21-17-7-5-4-6-14(17)20(25)27-3/h4-11H,1-3H3,(H,21,24)
InChIKeyLRDHVRJIBHTXKK-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.35
Rot. Bonds4

About methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate

methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate (PubChem CID 113212824) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
PubChem CID113212824
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Namemethyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cn(C(C)=O)c2ccc(OC)cc12
InChIInChI=1S/C20H18N2O5/c1-12(23)22-11-16(15-10-13(26-2)8-9-18(15)22)19(24)21-17-7-5-4-6-14(17)20(25)27-3/h4-11H,1-3H3,(H,21,24)
InChIKeyLRDHVRJIBHTXKK-UHFFFAOYSA-N
XLogP3.35
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768
1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide
CID 113212780
1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide
CID 113212814
methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
CID 113213188
1-acetyl-5-chloro-N-(2,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212642
1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide
CID 113212714
1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide
CID 113212789
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
1-acetyl-N-butan-2-yl-5-methoxyindole-3-carboxamide
CID 113212691
1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
CID 113212689
1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide
CID 113212988
methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113204904

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate (CID 113212824) is methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cn(C(C)=O)c2ccc(OC)cc12.
What is the InChIKey of methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate?
The InChIKey is LRDHVRJIBHTXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12(23)22-11-16(15-10-13(26-2)8-9-18(15)22)19(24)21-17-7-5-4-6-14(17)20(25)27-3/h4-11H,1-3H3,(H,21,24).
What are the key properties of methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate?
methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate has a molecular weight of 366.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 113212824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).