[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate

C19H18N2O5 — CID 7888845

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H18N2O5/c1-24-12-7-8-17(25-2)16(9-12)21-18(22)11-26-19(23)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,11H2,1-2H3,(H,21,22)
InChIKeyCBYDHZBKYAJHEO-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.98
Rot. Bonds6

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7888845) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7888845
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H18N2O5/c1-24-12-7-8-17(25-2)16(9-12)21-18(22)11-26-19(23)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,11H2,1-2H3,(H,21,22)
InChIKeyCBYDHZBKYAJHEO-UHFFFAOYSA-N
XLogP2.98
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492820
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492935
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544216
N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027566
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385448
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596368
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715818
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573573
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492923
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 4858411

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate (CID 7888845) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate is COc1ccc(OC)c(NC(=O)COC(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is CBYDHZBKYAJHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-24-12-7-8-17(25-2)16(9-12)21-18(22)11-26-19(23)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,11H2,1-2H3,(H,21,22).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 354.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7888845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).