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

C35H53BrN2O3S — CID 173343711

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

N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide (PubChem CID 173343711) has the molecular formula C35H53BrN2O3S and a molecular weight of 661.79 g/mol. Its IUPAC name is N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide.

Molecular Properties

• Compound Name: N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
• PubChem CID: 173343711
• Molecular Formula: C35H53BrN2O3S
• Molecular Weight: 661.79 g/mol
• Exact Mass: 660.30
• IUPAC Name: N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
• SMILES: Br.CCCCCCCCCCCCCCOc1cc(CN(C(C)=O)c2cccc(CN3C=C(C)SC3)c2)ccc1OC
• InChI: InChI=1S/C35H52N2O3S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-22-40-35-24-32(20-21-34(35)39-4)27-37(30(3)38)33-19-17-18-31(23-33)26-36-25-29(2)41-28-36;/h17-21,23-25H,5-16,22,26-28H2,1-4H3;1H
• InChIKey: LUBFFVVTMFIBDK-UHFFFAOYSA-N
• XLogP: 10.27
• TPSA: 42.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 20
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.79
LogP ≤ 5	10.27
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-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide?

The IUPAC name of N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide (CID 173343711) is N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide.

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

The canonical SMILES for N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide is Br.CCCCCCCCCCCCCCOc1cc(CN(C(C)=O)c2cccc(CN3C=C(C)SC3)c2)ccc1OC.

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

The InChIKey is LUBFFVVTMFIBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52N2O3S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-22-40-35-24-32(20-21-34(35)39-4)27-37(30(3)38)33-19-17-18-31(23-33)26-36-25-29(2)41-28-36;/h17-21,23-25H,5-16,22,26-28H2,1-4H3;1H.

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

N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide has a molecular weight of 661.79 g/mol, XLogP of 10.27, 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-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide is sourced from PubChem (CID 173343711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).