4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

C19H24N2O4 — CID 3236746

IUPAC4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1
InChIInChI=1S/C19H24N2O4/c1-6-24-14-8-9-16(25-7-2)15(10-14)21-19(23)18-11(3)17(13(5)22)12(4)20-18/h8-10,20H,6-7H2,1-5H3,(H,21,23)
InChIKeyFZTRSMRBJPVFLE-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.88
Rot. Bonds7

About 4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 3236746) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID3236746
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1
InChIInChI=1S/C19H24N2O4/c1-6-24-14-8-9-16(25-7-2)15(10-14)21-19(23)18-11(3)17(13(5)22)12(4)20-18/h8-10,20H,6-7H2,1-5H3,(H,21,23)
InChIKeyFZTRSMRBJPVFLE-UHFFFAOYSA-N
XLogP3.88
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 3236746) is 4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1.
What is the InChIKey of 4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is FZTRSMRBJPVFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-6-24-14-8-9-16(25-7-2)15(10-14)21-19(23)18-11(3)17(13(5)22)12(4)20-18/h8-10,20H,6-7H2,1-5H3,(H,21,23).
What are the key properties of 4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3236746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).