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

C15H18N2O3 — CID 110766220

IUPACN-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)[nH]c2C)c(OC)c1
InChIInChI=1S/C15H18N2O3/c1-9-7-12(10(2)16-9)15(18)17-13-6-5-11(19-3)8-14(13)20-4/h5-8,16H,1-4H3,(H,17,18)
InChIKeyALSTWHRBAFUZSJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.90
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 110766220) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID110766220
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)[nH]c2C)c(OC)c1
InChIInChI=1S/C15H18N2O3/c1-9-7-12(10(2)16-9)15(18)17-13-6-5-11(19-3)8-14(13)20-4/h5-8,16H,1-4H3,(H,17,18)
InChIKeyALSTWHRBAFUZSJ-UHFFFAOYSA-N
XLogP2.90
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
N-(2,4-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 7930911
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740
N-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 18104674
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 3908223
2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide
CID 61089728
N-(2,4-dimethoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494467
N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691766
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide (CID 110766220) is N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide is COc1ccc(NC(=O)c2cc(C)[nH]c2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is ALSTWHRBAFUZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-7-12(10(2)16-9)15(18)17-13-6-5-11(19-3)8-14(13)20-4/h5-8,16H,1-4H3,(H,17,18).
What are the key properties of N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide?
N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110766220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).