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

C15H16N2O5 — CID 8544216

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2ccc[nH]2)c1
InChIInChI=1S/C15H16N2O5/c1-20-10-5-6-13(21-2)12(8-10)17-14(18)9-22-15(19)11-4-3-7-16-11/h3-8,16H,9H2,1-2H3,(H,17,18)
InChIKeyGJAPDKHKGULDGQ-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.83
Rot. Bonds6

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

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate (PubChem CID 8544216) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
PubChem CID8544216
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2ccc[nH]2)c1
InChIInChI=1S/C15H16N2O5/c1-20-10-5-6-13(21-2)12(8-10)17-14(18)9-22-15(19)11-4-3-7-16-11/h3-8,16H,9H2,1-2H3,(H,17,18)
InChIKeyGJAPDKHKGULDGQ-UHFFFAOYSA-N
XLogP1.83
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385448
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799809
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888845
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate
CID 2489330
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146845
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate
CID 2632423
[2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8543923
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924944
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501283
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate (CID 8544216) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate is COc1ccc(OC)c(NC(=O)COC(=O)c2ccc[nH]2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The InChIKey is GJAPDKHKGULDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-20-10-5-6-13(21-2)12(8-10)17-14(18)9-22-15(19)11-4-3-7-16-11/h3-8,16H,9H2,1-2H3,(H,17,18).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate has a molecular weight of 304.30 g/mol, XLogP of 1.83, 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-pyrrole-2-carboxylate is sourced from PubChem (CID 8544216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).