4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide

C27H36N2O2 — CID 143041747

About 4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide

4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide (PubChem CID 143041747) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
• PubChem CID: 143041747
• Molecular Formula: C27H36N2O2
• Molecular Weight: 420.60 g/mol
• Exact Mass: 420.28
• IUPAC Name: 4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
• SMILES: CCCCCCCCc1ccc(C(=O)NCC(=O)NC2CCCc3ccccc32)cc1
• InChI: InChI=1S/C27H36N2O2/c1-2-3-4-5-6-7-11-21-16-18-23(19-17-21)27(31)28-20-26(30)29-25-15-10-13-22-12-8-9-14-24(22)25/h8-9,12,14,16-19,25H,2-7,10-11,13,15,20H2,1H3,(H,28,31)(H,29,30)
• InChIKey: UHYUMPWZCKHSQT-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.60
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide?

The IUPAC name of 4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide (CID 143041747) is 4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide.

What is the SMILES notation for 4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide?

The canonical SMILES for 4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide is CCCCCCCCc1ccc(C(=O)NCC(=O)NC2CCCc3ccccc32)cc1.

What is the InChIKey of 4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide?

The InChIKey is UHYUMPWZCKHSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-2-3-4-5-6-7-11-21-16-18-23(19-17-21)27(31)28-20-26(30)29-25-15-10-13-22-12-8-9-14-24(22)25/h8-9,12,14,16-19,25H,2-7,10-11,13,15,20H2,1H3,(H,28,31)(H,29,30).

What are the key properties of 4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide?

4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide has a molecular weight of 420.60 g/mol, XLogP of 5.51, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide is sourced from PubChem (CID 143041747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).