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

C17H21N3O2 — CID 110356799

IUPACN-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide
SMILESCC(=O)NCCCCNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H21N3O2/c1-14(21)18-9-2-3-10-19-17(22)15-7-6-8-16(13-15)20-11-4-5-12-20/h4-8,11-13H,2-3,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyNAPHVRABMVSTSL-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.12
Rot. Bonds7

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

N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide (PubChem CID 110356799) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide
PubChem CID110356799
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide
SMILESCC(=O)NCCCCNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H21N3O2/c1-14(21)18-9-2-3-10-19-17(22)15-7-6-8-16(13-15)20-11-4-5-12-20/h4-8,11-13H,2-3,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyNAPHVRABMVSTSL-UHFFFAOYSA-N
XLogP2.12
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
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-methoxybutyl)-3-pyrrol-1-ylbenzamide
CID 110617094
N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide
CID 86972966
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
[(2S)-1-[4-(2-acetamidoethyl)phenyl]-1-oxopropan-2-yl] 3-pyrrol-1-ylbenzoate
CID 9381258
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-pyrrol-1-ylbenzamide
CID 80716345
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide (CID 110356799) is N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide is CC(=O)NCCCCNC(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide?
The InChIKey is NAPHVRABMVSTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-14(21)18-9-2-3-10-19-17(22)15-7-6-8-16(13-15)20-11-4-5-12-20/h4-8,11-13H,2-3,9-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide?
N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110356799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).