2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide

C17H22N2O2 — CID 79109983

IUPAC2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCCC(O)c1ccn(CC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C17H22N2O2/c1-3-5-16(20)14-8-9-19(11-14)12-17(21)18-15-7-4-6-13(2)10-15/h4,6-11,16,20H,3,5,12H2,1-2H3,(H,18,21)
InChIKeyUOIHTWMZQJQLTJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.27
Rot. Bonds6

About 2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide

2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 79109983) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID79109983
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCCC(O)c1ccn(CC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C17H22N2O2/c1-3-5-16(20)14-8-9-19(11-14)12-17(21)18-15-7-4-6-13(2)10-15/h4,6-11,16,20H,3,5,12H2,1-2H3,(H,18,21)
InChIKeyUOIHTWMZQJQLTJ-UHFFFAOYSA-N
XLogP3.27
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
CID 79107758
2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79099731
N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
CID 79108596
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide
CID 79108893
2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79107992
N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide
CID 79090031
N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099131
N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
2-ethyl-N-(3-methylphenyl)pentanamide
CID 20659416
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 106865848

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide (CID 79109983) is 2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide is CCCC(O)c1ccn(CC(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is UOIHTWMZQJQLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-5-16(20)14-8-9-19(11-14)12-17(21)18-15-7-4-6-13(2)10-15/h4,6-11,16,20H,3,5,12H2,1-2H3,(H,18,21).
What are the key properties of 2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 79109983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).