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

C34H50N2O3S — CID 57013116

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

N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide (PubChem CID 57013116) has the molecular formula C34H50N2O3S and a molecular weight of 566.85 g/mol. Its IUPAC name is N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
• PubChem CID: 57013116
• Molecular Formula: C34H50N2O3S
• Molecular Weight: 566.85 g/mol
• Exact Mass: 566.35
• IUPAC Name: N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
• SMILES: CCCCCCCCCCCCCCOc1cc(CN(C(C)=O)c2cccc(CN3C=CSC3)c2)ccc1OC
• InChI: InChI=1S/C34H50N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-39-34-25-31(19-20-33(34)38-3)27-36(29(2)37)32-18-16-17-30(24-32)26-35-21-23-40-28-35/h16-21,23-25H,4-15,22,26-28H2,1-3H3
• InChIKey: FPKNWVHXTXDWOX-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 42.01 Ų
• 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	9.31
H-Bond Donors ≤ 5	0
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 N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide?

The IUPAC name of N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide (CID 57013116) is N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide.

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

The canonical SMILES for N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide is CCCCCCCCCCCCCCOc1cc(CN(C(C)=O)c2cccc(CN3C=CSC3)c2)ccc1OC.

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

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

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

N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide has a molecular weight of 566.85 g/mol, XLogP of 9.31, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 57013116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).