[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate

C19H18N2O4 — CID 7723432

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H18N2O4/c1-12-7-8-17(24-2)15(9-12)21-18(22)11-25-19(23)16-10-13-5-3-4-6-14(13)20-16/h3-10,20H,11H2,1-2H3,(H,21,22)
InChIKeyYSOGRKVLYSJKNR-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.28
Rot. Bonds5

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate (PubChem CID 7723432) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
PubChem CID7723432
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H18N2O4/c1-12-7-8-17(24-2)15(9-12)21-18(22)11-25-19(23)16-10-13-5-3-4-6-14(13)20-16/h3-10,20H,11H2,1-2H3,(H,21,22)
InChIKeyYSOGRKVLYSJKNR-UHFFFAOYSA-N
XLogP3.28
TPSA80.42 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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7466227
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573573
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7466038
2-O-ethyl 4-O-[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2601280
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723461
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 27269010
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-1H-indole-2-carboxamide
CID 155903060
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984751

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate (CID 7723432) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate is COc1ccc(C)cc1NC(=O)COC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate?
The InChIKey is YSOGRKVLYSJKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-7-8-17(24-2)15(9-12)21-18(22)11-25-19(23)16-10-13-5-3-4-6-14(13)20-16/h3-10,20H,11H2,1-2H3,(H,21,22).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 7723432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).