2-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide

C34H50N2O3S — CID 57057566

About 2-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide

2-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide (PubChem CID 57057566) has the molecular formula C34H50N2O3S and a molecular weight of 566.85 g/mol. Its IUPAC name is 2-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
• PubChem CID: 57057566
• Molecular Formula: C34H50N2O3S
• Molecular Weight: 566.85 g/mol
• Exact Mass: 566.35
• IUPAC Name: 2-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
• SMILES: CCCCCCCCCCCCCCOc1cc(OC)ccc1CC(=O)Nc1cccc(CN2C=C(C)SC2)c1
• InChI: InChI=1S/C34H50N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-39-33-24-32(38-3)20-19-30(33)23-34(37)35-31-18-16-17-29(22-31)26-36-25-28(2)40-27-36/h16-20,22,24-25H,4-15,21,23,26-27H2,1-3H3,(H,35,37)
• InChIKey: XODSWCLDOVHXBZ-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-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide (CID 57057566) is 2-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide is CCCCCCCCCCCCCCOc1cc(OC)ccc1CC(=O)Nc1cccc(CN2C=C(C)SC2)c1.

What is the InChIKey of 2-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide?

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

What are the key properties of 2-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide?

2-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-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-(4-methoxy-2-tetradecoxyphenyl)-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 57057566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).