[2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate

C19H22N2O4 — CID 8672501

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C19H22N2O4/c1-12-10-15(13(2)21(12)14-8-9-14)19(23)25-11-18(22)20-16-6-4-5-7-17(16)24-3/h4-7,10,14H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyNICQRLNYGOTHHV-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.24
Rot. Bonds6

About [2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate

[2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate (PubChem CID 8672501) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
PubChem CID8672501
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C19H22N2O4/c1-12-10-15(13(2)21(12)14-8-9-14)19(23)25-11-18(22)20-16-6-4-5-7-17(16)24-3/h4-7,10,14H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyNICQRLNYGOTHHV-UHFFFAOYSA-N
XLogP3.24
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate (CID 8672501) is [2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate is COc1ccccc1NC(=O)COC(=O)c1cc(C)n(C2CC2)c1C.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate?
The InChIKey is NICQRLNYGOTHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-10-15(13(2)21(12)14-8-9-14)19(23)25-11-18(22)20-16-6-4-5-7-17(16)24-3/h4-7,10,14H,8-9,11H2,1-3H3,(H,20,22).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate?
[2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 8672501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).