2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide

C34H50N2O3S — CID 57113749

About 2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide

2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide (PubChem CID 57113749) has the molecular formula C34H50N2O3S and a molecular weight of 566.85 g/mol. Its IUPAC name is 2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
• PubChem CID: 57113749
• Molecular Formula: C34H50N2O3S
• Molecular Weight: 566.85 g/mol
• Exact Mass: 566.35
• IUPAC Name: 2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
• SMILES: CCCCCCCCCCCCCCOc1ccc(CC(=O)Nc2ccc(CN3CSC=C3C)cc2)cc1OC
• InChI: InChI=1S/C34H50N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-39-32-21-18-30(23-33(32)38-3)24-34(37)35-31-19-16-29(17-20-31)25-36-27-40-26-28(36)2/h16-21,23,26H,4-15,22,24-25,27H2,1-3H3,(H,35,37)
• InChIKey: GEQRKBKGJHRZPP-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 20
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.85
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide (CID 57113749) is 2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide is CCCCCCCCCCCCCCOc1ccc(CC(=O)Nc2ccc(CN3CSC=C3C)cc2)cc1OC.

What is the InChIKey of 2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide?

The InChIKey is GEQRKBKGJHRZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-39-32-21-18-30(23-33(32)38-3)24-34(37)35-31-19-16-29(17-20-31)25-36-27-40-26-28(36)2/h16-21,23,26H,4-15,22,24-25,27H2,1-3H3,(H,35,37).

What are the key properties of 2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide?

2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide has a molecular weight of 566.85 g/mol, XLogP of 9.32, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 57113749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).