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

C35H53BrN2O3S — CID 173343532

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

N-[2-(4-methoxy-3-tetradecoxyphenyl)ethyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide (PubChem CID 173343532) has the molecular formula C35H53BrN2O3S and a molecular weight of 661.79 g/mol. Its IUPAC name is N-[2-(4-methoxy-3-tetradecoxyphenyl)ethyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide.

Molecular Properties

• Compound Name: N-[2-(4-methoxy-3-tetradecoxyphenyl)ethyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide
• PubChem CID: 173343532
• Molecular Formula: C35H53BrN2O3S
• Molecular Weight: 661.79 g/mol
• Exact Mass: 660.30
• IUPAC Name: N-[2-(4-methoxy-3-tetradecoxyphenyl)ethyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide
• SMILES: Br.CCCCCCCCCCCCCCOc1cc(CCN(C(C)=O)c2ccc(CN3C=CSC3)cc2)ccc1OC
• InChI: InChI=1S/C35H52N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-25-40-35-27-31(18-21-34(35)39-3)22-23-37(30(2)38)33-19-16-32(17-20-33)28-36-24-26-41-29-36;/h16-21,24,26-27H,4-15,22-23,25,28-29H2,1-3H3;1H
• InChIKey: NQQJTPUTDRZVNP-UHFFFAOYSA-N
• XLogP: 9.93
• TPSA: 42.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 21
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.79
LogP ≤ 5	9.93
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-[2-(4-methoxy-3-tetradecoxyphenyl)ethyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide?

The IUPAC name of N-[2-(4-methoxy-3-tetradecoxyphenyl)ethyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide (CID 173343532) is N-[2-(4-methoxy-3-tetradecoxyphenyl)ethyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide.

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

The canonical SMILES for N-[2-(4-methoxy-3-tetradecoxyphenyl)ethyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide is Br.CCCCCCCCCCCCCCOc1cc(CCN(C(C)=O)c2ccc(CN3C=CSC3)cc2)ccc1OC.

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

The InChIKey is NQQJTPUTDRZVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-25-40-35-27-31(18-21-34(35)39-3)22-23-37(30(2)38)33-19-16-32(17-20-33)28-36-24-26-41-29-36;/h16-21,24,26-27H,4-15,22-23,25,28-29H2,1-3H3;1H.

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

N-[2-(4-methoxy-3-tetradecoxyphenyl)ethyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide has a molecular weight of 661.79 g/mol, XLogP of 9.93, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methoxy-3-tetradecoxyphenyl)ethyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide is sourced from PubChem (CID 173343532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).