N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide

C38H57BrN2O3 — CID 173343588

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

N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide (PubChem CID 173343588) has the molecular formula C38H57BrN2O3 and a molecular weight of 669.79 g/mol. Its IUPAC name is N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide.

Molecular Properties

• Compound Name: N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide
• PubChem CID: 173343588
• Molecular Formula: C38H57BrN2O3
• Molecular Weight: 669.79 g/mol
• Exact Mass: 668.36
• IUPAC Name: N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide
• SMILES: Br.CCCCCCCCCCCCCCOc1cc(CN(C(C)=O)c2cccc(CC3(C)CN=CC=C3C)c2)ccc1OC
• InChI: InChI=1S/C38H56N2O3.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-25-43-37-27-34(21-22-36(37)42-5)29-40(32(3)41)35-20-18-19-33(26-35)28-38(4)30-39-24-23-31(38)2;/h18-24,26-27H,6-17,25,28-30H2,1-5H3;1H
• InChIKey: IJEFJFGDYZYFPA-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 51.13 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.79
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide?

The IUPAC name of N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide (CID 173343588) is N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide.

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

The canonical SMILES for N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide is Br.CCCCCCCCCCCCCCOc1cc(CN(C(C)=O)c2cccc(CC3(C)CN=CC=C3C)c2)ccc1OC.

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

The InChIKey is IJEFJFGDYZYFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H56N2O3.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-25-43-37-27-34(21-22-36(37)42-5)29-40(32(3)41)35-20-18-19-33(26-35)28-38(4)30-39-24-23-31(38)2;/h18-24,26-27H,6-17,25,28-30H2,1-5H3;1H.

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

N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide has a molecular weight of 669.79 g/mol, XLogP of 10.49, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-methoxy-3-tetradecoxyphenyl)methyl]acetamide;hydrobromide is sourced from PubChem (CID 173343588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).