N-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide

C15H18N2O3 — CID 969673

IUPACN-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(C)ccc2C)cc1OC
InChIInChI=1S/C15H18N2O3/c1-10-5-6-11(2)17(10)16-15(18)12-7-8-13(19-3)14(9-12)20-4/h5-9H,1-4H3,(H,16,18)
InChIKeyVFKAIZFZZCSFBV-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.51
Rot. Bonds4

About N-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide

N-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide (PubChem CID 969673) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide
PubChem CID969673
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(C)ccc2C)cc1OC
InChIInChI=1S/C15H18N2O3/c1-10-5-6-11(2)17(10)16-15(18)12-7-8-13(19-3)14(9-12)20-4/h5-9H,1-4H3,(H,16,18)
InChIKeyVFKAIZFZZCSFBV-UHFFFAOYSA-N
XLogP2.51
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide (CID 969673) is N-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nn2c(C)ccc2C)cc1OC.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide?
The InChIKey is VFKAIZFZZCSFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-5-6-11(2)17(10)16-15(18)12-7-8-13(19-3)14(9-12)20-4/h5-9H,1-4H3,(H,16,18).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide?
N-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 969673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).