N-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide

C18H24N4O2 — CID 2957684

IUPACN-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C18H24N4O2/c1-2-3-5-17(23)21-16-8-6-15(7-9-16)18(24)20-10-4-12-22-13-11-19-14-22/h6-9,11,13-14H,2-5,10,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyCPQWEUKRAXOOEG-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.83
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide

N-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide (PubChem CID 2957684) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide
PubChem CID2957684
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C18H24N4O2/c1-2-3-5-17(23)21-16-8-6-15(7-9-16)18(24)20-10-4-12-22-13-11-19-14-22/h6-9,11,13-14H,2-5,10,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyCPQWEUKRAXOOEG-UHFFFAOYSA-N
XLogP2.83
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide (CID 2957684) is N-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide?
The InChIKey is CPQWEUKRAXOOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-3-5-17(23)21-16-8-6-15(7-9-16)18(24)20-10-4-12-22-13-11-19-14-22/h6-9,11,13-14H,2-5,10,12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide?
N-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-(pentanoylamino)benzamide is sourced from PubChem (CID 2957684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).