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

C16H18N2O3 — CID 866988

IUPAC4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C16H18N2O3/c1-9-14(11(3)19)10(2)17-15(9)16(20)18-12-5-7-13(21-4)8-6-12/h5-8,17H,1-4H3,(H,18,20)
InChIKeyCAUZUYSORYSVTP-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.10
Rot. Bonds4

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

4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 866988) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID866988
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C16H18N2O3/c1-9-14(11(3)19)10(2)17-15(9)16(20)18-12-5-7-13(21-4)8-6-12/h5-8,17H,1-4H3,(H,18,20)
InChIKeyCAUZUYSORYSVTP-UHFFFAOYSA-N
XLogP3.10
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 866988) is 4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is COc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1.
What is the InChIKey of 4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is CAUZUYSORYSVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-14(11(3)19)10(2)17-15(9)16(20)18-12-5-7-13(21-4)8-6-12/h5-8,17H,1-4H3,(H,18,20).
What are the key properties of 4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 866988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).