ethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate

C23H24N2O4 — CID 4113418

IUPACethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2ccc(OC)cc2)c1C
InChIInChI=1S/C23H24N2O4/c1-4-29-23(27)20-14-21(17-8-6-5-7-9-17)25(16(20)2)15-22(26)24-18-10-12-19(28-3)13-11-18/h5-14H,4,15H2,1-3H3,(H,24,26)
InChIKeyRBAJZGVEFISCID-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.29
Rot. Bonds7

About ethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate

ethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate (PubChem CID 4113418) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate
PubChem CID4113418
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Nameethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2ccc(OC)cc2)c1C
InChIInChI=1S/C23H24N2O4/c1-4-29-23(27)20-14-21(17-8-6-5-7-9-17)25(16(20)2)15-22(26)24-18-10-12-19(28-3)13-11-18/h5-14H,4,15H2,1-3H3,(H,24,26)
InChIKeyRBAJZGVEFISCID-UHFFFAOYSA-N
XLogP4.29
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate (CID 4113418) is ethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2ccc(OC)cc2)c1C.
What is the InChIKey of ethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate?
The InChIKey is RBAJZGVEFISCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-4-29-23(27)20-14-21(17-8-6-5-7-9-17)25(16(20)2)15-22(26)24-18-10-12-19(28-3)13-11-18/h5-14H,4,15H2,1-3H3,(H,24,26).
What are the key properties of ethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate?
ethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 4113418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).