N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide

C16H20N2O2 — CID 110617094

IUPACN-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide
SMILESCOCCCCNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C16H20N2O2/c1-20-12-5-2-9-17-16(19)14-7-6-8-15(13-14)18-10-3-4-11-18/h3-4,6-8,10-11,13H,2,5,9,12H2,1H3,(H,17,19)
InChIKeyAAKUCCYXAMMNBF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.63
Rot. Bonds7

About N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide

N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide (PubChem CID 110617094) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide
PubChem CID110617094
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide
SMILESCOCCCCNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C16H20N2O2/c1-20-12-5-2-9-17-16(19)14-7-6-8-15(13-14)18-10-3-4-11-18/h3-4,6-8,10-11,13H,2,5,9,12H2,1H3,(H,17,19)
InChIKeyAAKUCCYXAMMNBF-UHFFFAOYSA-N
XLogP2.63
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide
CID 110356799
N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide
CID 86972966
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110617107
3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110310749
3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 17453938
N-prop-2-enyl-3-pyrrol-1-ylbenzamide
CID 35154530
N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide
CID 65113690
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide
CID 110309684
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide
CID 110301921
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide (CID 110617094) is N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide is COCCCCNC(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide?
The InChIKey is AAKUCCYXAMMNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-12-5-2-9-17-16(19)14-7-6-8-15(13-14)18-10-3-4-11-18/h3-4,6-8,10-11,13H,2,5,9,12H2,1H3,(H,17,19).
What are the key properties of N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide?
N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110617094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).