N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide

C33H38N2O4 — CID 11526556

About N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide

N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide (PubChem CID 11526556) has the molecular formula C33H38N2O4 and a molecular weight of 526.68 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
• PubChem CID: 11526556
• Molecular Formula: C33H38N2O4
• Molecular Weight: 526.68 g/mol
• Exact Mass: 526.28
• IUPAC Name: N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
• SMILES: COCCCOc1cc(CN(C(=O)C2=C(c3cccc(-c4ccccc4)c3)CCNC2)C2CC2)cc(OC)c1
• InChI: InChI=1S/C33H38N2O4/c1-37-16-7-17-39-30-19-24(18-29(21-30)38-2)23-35(28-12-13-28)33(36)32-22-34-15-14-31(32)27-11-6-10-26(20-27)25-8-4-3-5-9-25/h3-6,8-11,18-21,28,34H,7,12-17,22-23H2,1-2H3
• InChIKey: GWJVFAXOVSJYFH-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.68
LogP ≤ 5	5.72
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 N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?

The IUPAC name of N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide (CID 11526556) is N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide.

What is the SMILES notation for N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?

The canonical SMILES for N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide is COCCCOc1cc(CN(C(=O)C2=C(c3cccc(-c4ccccc4)c3)CCNC2)C2CC2)cc(OC)c1.

What is the InChIKey of N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?

The InChIKey is GWJVFAXOVSJYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O4/c1-37-16-7-17-39-30-19-24(18-29(21-30)38-2)23-35(28-12-13-28)33(36)32-22-34-15-14-31(32)27-11-6-10-26(20-27)25-8-4-3-5-9-25/h3-6,8-11,18-21,28,34H,7,12-17,22-23H2,1-2H3.

What are the key properties of N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?

N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide has a molecular weight of 526.68 g/mol, XLogP of 5.72, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide is sourced from PubChem (CID 11526556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).