ethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate

C19H24N2O3 — CID 4165367

IUPACethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)NCCc2ccccc2)c(C)n1C
InChIInChI=1S/C19H24N2O3/c1-5-24-19(23)17-13(2)16(14(3)21(17)4)18(22)20-12-11-15-9-7-6-8-10-15/h6-10H,5,11-12H2,1-4H3,(H,20,22)
InChIKeyWELDVLJLFFJMLP-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.79
Rot. Bonds6

About ethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate

ethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate (PubChem CID 4165367) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate
PubChem CID4165367
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)NCCc2ccccc2)c(C)n1C
InChIInChI=1S/C19H24N2O3/c1-5-24-19(23)17-13(2)16(14(3)21(17)4)18(22)20-12-11-15-9-7-6-8-10-15/h6-10H,5,11-12H2,1-4H3,(H,20,22)
InChIKeyWELDVLJLFFJMLP-UHFFFAOYSA-N
XLogP2.79
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate (CID 4165367) is ethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate is CCOC(=O)c1c(C)c(C(=O)NCCc2ccccc2)c(C)n1C.
What is the InChIKey of ethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate?
The InChIKey is WELDVLJLFFJMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-5-24-19(23)17-13(2)16(14(3)21(17)4)18(22)20-12-11-15-9-7-6-8-10-15/h6-10H,5,11-12H2,1-4H3,(H,20,22).
What are the key properties of ethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate?
ethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3,5-trimethyl-4-(2-phenylethylcarbamoyl)pyrrole-2-carboxylate is sourced from PubChem (CID 4165367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).