ethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C20H26N2O4 — CID 46432319

IUPACethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)NC(CC)c2ccccc2OC)c1C
InChIInChI=1S/C20H26N2O4/c1-6-15(14-10-8-9-11-16(14)25-5)22-19(23)18-12(3)17(13(4)21-18)20(24)26-7-2/h8-11,15,21H,6-7H2,1-5H3,(H,22,23)
InChIKeyRBWVNBZQDGPFJQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.70
Rot. Bonds7

About ethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

ethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 46432319) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID46432319
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Nameethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)NC(CC)c2ccccc2OC)c1C
InChIInChI=1S/C20H26N2O4/c1-6-15(14-10-8-9-11-16(14)25-5)22-19(23)18-12(3)17(13(4)21-18)20(24)26-7-2/h8-11,15,21H,6-7H2,1-5H3,(H,22,23)
InChIKeyRBWVNBZQDGPFJQ-UHFFFAOYSA-N
XLogP3.70
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,4-dimethyl-5-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 40919087
ethyl 5-[2-(2-methoxyphenoxy)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9167483
ethyl 5-(benzhydrylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7930994
ethyl 5-[(2R)-2-(2-methoxyanilino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7986611
4-O-ethyl 2-O-(2-methoxyphenyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 51149667
ethyl 2,4-dimethyl-5-[(2-propan-2-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 17445476
ethyl 5-[(2R)-2-[2-(2-methoxyphenoxy)acetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 40578765
2-O-(2-ethoxyphenyl) 4-O-(2-methoxyethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 55755829
2-O-ethyl 4-O-[2-(2-methoxyphenyl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 16501844
4-O-ethyl 2-O-[2-(2-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2483229
2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55718606
ethyl 5-[[(2S)-1-amino-4-methoxy-1-oxobutan-2-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 97335627

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 46432319) is ethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)NC(CC)c2ccccc2OC)c1C.
What is the InChIKey of ethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is RBWVNBZQDGPFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-6-15(14-10-8-9-11-16(14)25-5)22-19(23)18-12(3)17(13(4)21-18)20(24)26-7-2/h8-11,15,21H,6-7H2,1-5H3,(H,22,23).
What are the key properties of ethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
ethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(2-methoxyphenyl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 46432319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).