Hexadecyl N-(4-methoxyphenyl)carbamate

C₂₄H₄₁NO₃ — CID 46229876

About Hexadecyl N-(4-methoxyphenyl)carbamate

Hexadecyl N-(4-methoxyphenyl)carbamate (PubChem CID 46229876) has the molecular formula C₂₄H₄₁NO₃ and a molecular weight of 391.60 g/mol. Its IUPAC name is hexadecyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

• Compound Name: Hexadecyl N-(4-methoxyphenyl)carbamate
• PubChem CID: 46229876
• Molecular Formula: C₂₄H₄₁NO₃
• Molecular Weight: 391.60 g/mol
• Exact Mass: 391.31
• IUPAC Name: hexadecyl N-(4-methoxyphenyl)carbamate
• SMILES: CCCCCCCCCCCCCCCCOC(=O)Nc1ccc(OC)cc1
• InChI: InChI=1S/C24H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-24(26)25-22-17-19-23(27-2)20-18-22/h17-20H,3-16,21H2,1-2H3,(H,25,26)
• InChIKey: KEAPPBXJZAYCAF-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 17
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.60
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	1
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 Hexadecyl N-(4-methoxyphenyl)carbamate?

The IUPAC name of Hexadecyl N-(4-methoxyphenyl)carbamate (CID 46229876) is hexadecyl N-(4-methoxyphenyl)carbamate.

What is the SMILES notation for Hexadecyl N-(4-methoxyphenyl)carbamate?

The canonical SMILES for Hexadecyl N-(4-methoxyphenyl)carbamate is CCCCCCCCCCCCCCCCOC(=O)Nc1ccc(OC)cc1.

What is the InChIKey of Hexadecyl N-(4-methoxyphenyl)carbamate?

The InChIKey is KEAPPBXJZAYCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-24(26)25-22-17-19-23(27-2)20-18-22/h17-20H,3-16,21H2,1-2H3,(H,25,26).

What are the key properties of Hexadecyl N-(4-methoxyphenyl)carbamate?

Hexadecyl N-(4-methoxyphenyl)carbamate has a molecular weight of 391.60 g/mol, XLogP of 7.72, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Hexadecyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 46229876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 46229876 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.