N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide

C34H64N4O2 — CID 123905839

About N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide

N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide (PubChem CID 123905839) has the molecular formula C34H64N4O2 and a molecular weight of 560.91 g/mol. Its IUPAC name is N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide.

Molecular Properties

• Compound Name: N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide
• PubChem CID: 123905839
• Molecular Formula: C34H64N4O2
• Molecular Weight: 560.91 g/mol
• Exact Mass: 560.50
• IUPAC Name: N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide
• SMILES: CCCCCCCCCCCCCCNC(=O)C(Cc1cnc[nH]1)NC(=O)CCCCCCCCCCCCC
• InChI: InChI=1S/C34H64N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-34(40)32(28-31-29-35-30-37-31)38-33(39)26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,32H,3-28H2,1-2H3,(H,35,37)(H,36,40)(H,38,39)
• InChIKey: WRWGYHXDKOJYPI-UHFFFAOYSA-N
• XLogP: 8.96
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 29
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.91
LogP ≤ 5	8.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide?

The IUPAC name of N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide (CID 123905839) is N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide.

What is the SMILES notation for N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide?

The canonical SMILES for N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide is CCCCCCCCCCCCCCNC(=O)C(Cc1cnc[nH]1)NC(=O)CCCCCCCCCCCCC.

What is the InChIKey of N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide?

The InChIKey is WRWGYHXDKOJYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-34(40)32(28-31-29-35-30-37-31)38-33(39)26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,32H,3-28H2,1-2H3,(H,35,37)(H,36,40)(H,38,39).

What are the key properties of N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide?

N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide has a molecular weight of 560.91 g/mol, XLogP of 8.96, 29 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide is sourced from PubChem (CID 123905839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).