N-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide

C15H18N4O2 — CID 24761528

IUPACN-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(C)n2ccnc2)cc1
InChIInChI=1S/C15H18N4O2/c1-11(19-8-7-16-10-19)9-15(21)18-14-5-3-13(4-6-14)17-12(2)20/h3-8,10-11H,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQNXRDULHIBUMNL-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.43
Rot. Bonds5

About N-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide

N-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide (PubChem CID 24761528) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide
PubChem CID24761528
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(C)n2ccnc2)cc1
InChIInChI=1S/C15H18N4O2/c1-11(19-8-7-16-10-19)9-15(21)18-14-5-3-13(4-6-14)17-12(2)20/h3-8,10-11H,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQNXRDULHIBUMNL-UHFFFAOYSA-N
XLogP2.43
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide (CID 24761528) is N-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide is CC(=O)Nc1ccc(NC(=O)CC(C)n2ccnc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide?
The InChIKey is QNXRDULHIBUMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(19-8-7-16-10-19)9-15(21)18-14-5-3-13(4-6-14)17-12(2)20/h3-8,10-11H,9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide?
N-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide has a molecular weight of 286.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-imidazol-1-ylbutanamide is sourced from PubChem (CID 24761528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).