3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid

C19H18N2O4 — CID 22330748

IUPAC3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid
SMILESCOc1ccccc1NC(=O)Cc1c(C(=O)O)n(C)c2ccccc12
InChIInChI=1S/C19H18N2O4/c1-21-15-9-5-3-7-12(15)13(18(21)19(23)24)11-17(22)20-14-8-4-6-10-16(14)25-2/h3-10H,11H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyZCWBFZFXBLZZQE-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.07
Rot. Bonds5

About 3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid

3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid (PubChem CID 22330748) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid
PubChem CID22330748
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid
SMILESCOc1ccccc1NC(=O)Cc1c(C(=O)O)n(C)c2ccccc12
InChIInChI=1S/C19H18N2O4/c1-21-15-9-5-3-7-12(15)13(18(21)19(23)24)11-17(22)20-14-8-4-6-10-16(14)25-2/h3-10H,11H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyZCWBFZFXBLZZQE-UHFFFAOYSA-N
XLogP3.07
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.07
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

3-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid
CID 4661483
2-anthracen-9-yl-N-(2-methoxyphenyl)acetamide
CID 102391843
N-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2599423
2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110768838
2-(2-hydroxyphenyl)-N-(2-methoxyphenyl)acetamide
CID 60615730
N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211482
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid
CID 102604500
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
CID 110859879
N-(2-methoxyphenyl)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110774189
5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 15995628
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 36838601

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid?
The IUPAC name of 3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid (CID 22330748) is 3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid?
The canonical SMILES for 3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid is COc1ccccc1NC(=O)Cc1c(C(=O)O)n(C)c2ccccc12.
What is the InChIKey of 3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid?
The InChIKey is ZCWBFZFXBLZZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-21-15-9-5-3-7-12(15)13(18(21)19(23)24)11-17(22)20-14-8-4-6-10-16(14)25-2/h3-10H,11H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid?
3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 22330748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).