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

C16H20N4O2 — CID 2986294

IUPACN-(3-imidazol-1-ylpropyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C16H20N4O2/c1-2-15(21)19-14-6-4-13(5-7-14)16(22)18-8-3-10-20-11-9-17-12-20/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,18,22)(H,19,21)
InChIKeyBDOWHYZYHWVNJA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.05
Rot. Bonds7

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

N-(3-imidazol-1-ylpropyl)-4-(propanoylamino)benzamide (PubChem CID 2986294) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-(propanoylamino)benzamide
PubChem CID2986294
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C16H20N4O2/c1-2-15(21)19-14-6-4-13(5-7-14)16(22)18-8-3-10-20-11-9-17-12-20/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,18,22)(H,19,21)
InChIKeyBDOWHYZYHWVNJA-UHFFFAOYSA-N
XLogP2.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.05
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-(propanoylamino)benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(propanoylamino)benzamide (CID 2986294) is N-(3-imidazol-1-ylpropyl)-4-(propanoylamino)benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-(propanoylamino)benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-(propanoylamino)benzamide?
The InChIKey is BDOWHYZYHWVNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-15(21)19-14-6-4-13(5-7-14)16(22)18-8-3-10-20-11-9-17-12-20/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-(propanoylamino)benzamide?
N-(3-imidazol-1-ylpropyl)-4-(propanoylamino)benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.05, 7 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-(propanoylamino)benzamide is sourced from PubChem (CID 2986294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).