N-(3-imidazol-1-ylpropyl)propanamide

C9H15N3O — CID 4135721

IUPACN-(3-imidazol-1-ylpropyl)propanamide
SMILESCCC(=O)NCCCn1ccnc1
InChIInChI=1S/C9H15N3O/c1-2-9(13)11-4-3-6-12-7-5-10-8-12/h5,7-8H,2-4,6H2,1H3,(H,11,13)
InChIKeyZGMIITNSDLXEOD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.80
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)propanamide

N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 4135721) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)propanamide
PubChem CID4135721
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(3-imidazol-1-ylpropyl)propanamide
SMILESCCC(=O)NCCCn1ccnc1
InChIInChI=1S/C9H15N3O/c1-2-9(13)11-4-3-6-12-7-5-10-8-12/h5,7-8H,2-4,6H2,1H3,(H,11,13)
InChIKeyZGMIITNSDLXEOD-UHFFFAOYSA-N
XLogP0.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.80
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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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)propanamide (CID 4135721) is N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)propanamide is CCC(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is ZGMIITNSDLXEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-9(13)11-4-3-6-12-7-5-10-8-12/h5,7-8H,2-4,6H2,1H3,(H,11,13).
What are the key properties of N-(3-imidazol-1-ylpropyl)propanamide?
N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 181.24 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 4135721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).