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

C17H20N2O2 — CID 110689025

IUPACN-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2c(C)ccc2C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-4-5-13(2)19(12)11-10-17(21)18-16-8-6-15(7-9-16)14(3)20/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyHKRVREXHBUFPKV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.34
Rot. Bonds5

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

N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide (PubChem CID 110689025) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
PubChem CID110689025
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2c(C)ccc2C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-4-5-13(2)19(12)11-10-17(21)18-16-8-6-15(7-9-16)14(3)20/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyHKRVREXHBUFPKV-UHFFFAOYSA-N
XLogP3.34
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide (CID 110689025) is N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide is CC(=O)c1ccc(NC(=O)CCn2c(C)ccc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide?
The InChIKey is HKRVREXHBUFPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-4-5-13(2)19(12)11-10-17(21)18-16-8-6-15(7-9-16)14(3)20/h4-9H,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide?
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide is sourced from PubChem (CID 110689025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).