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

C31H45BrN2O3S — CID 173343263

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

2-dodecoxy-4-methoxy-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]benzamide;hydrobromide (PubChem CID 173343263) has the molecular formula C31H45BrN2O3S and a molecular weight of 605.68 g/mol. Its IUPAC name is 2-dodecoxy-4-methoxy-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]benzamide;hydrobromide.

Molecular Properties

• Compound Name: 2-dodecoxy-4-methoxy-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]benzamide;hydrobromide
• PubChem CID: 173343263
• Molecular Formula: C31H45BrN2O3S
• Molecular Weight: 605.68 g/mol
• Exact Mass: 604.23
• IUPAC Name: 2-dodecoxy-4-methoxy-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]benzamide;hydrobromide
• SMILES: Br.CCCCCCCCCCCCOc1cc(OC)ccc1C(=O)Nc1cccc(CN2C=C(C)SC2)c1
• InChI: InChI=1S/C31H44N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-19-36-30-21-28(35-3)17-18-29(30)31(34)32-27-16-14-15-26(20-27)23-33-22-25(2)37-24-33;/h14-18,20-22H,4-13,19,23-24H2,1-3H3,(H,32,34);1H
• InChIKey: MPRZWRWLOJJEDX-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.68
LogP ≤ 5	9.19
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-dodecoxy-4-methoxy-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]benzamide;hydrobromide?

The IUPAC name of 2-dodecoxy-4-methoxy-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]benzamide;hydrobromide (CID 173343263) is 2-dodecoxy-4-methoxy-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]benzamide;hydrobromide.

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

The canonical SMILES for 2-dodecoxy-4-methoxy-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]benzamide;hydrobromide is Br.CCCCCCCCCCCCOc1cc(OC)ccc1C(=O)Nc1cccc(CN2C=C(C)SC2)c1.

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

The InChIKey is MPRZWRWLOJJEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-19-36-30-21-28(35-3)17-18-29(30)31(34)32-27-16-14-15-26(20-27)23-33-22-25(2)37-24-33;/h14-18,20-22H,4-13,19,23-24H2,1-3H3,(H,32,34);1H.

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

2-dodecoxy-4-methoxy-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]benzamide;hydrobromide has a molecular weight of 605.68 g/mol, XLogP of 9.19, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dodecoxy-4-methoxy-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]benzamide;hydrobromide is sourced from PubChem (CID 173343263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).