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

C34H40N2O5 — CID 11555842

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

N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(2-methoxy-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide (PubChem CID 11555842) has the molecular formula C34H40N2O5 and a molecular weight of 556.70 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(2-methoxy-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(2-methoxy-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
• PubChem CID: 11555842
• Molecular Formula: C34H40N2O5
• Molecular Weight: 556.70 g/mol
• Exact Mass: 556.29
• IUPAC Name: N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(2-methoxy-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
• SMILES: COCCCOc1cc(CN(C(=O)C2=C(c3cc(-c4ccccc4)ccc3OC)CCNC2)C2CC2)cc(OC)c1
• InChI: InChI=1S/C34H40N2O5/c1-38-16-7-17-41-29-19-24(18-28(21-29)39-2)23-36(27-11-12-27)34(37)32-22-35-15-14-30(32)31-20-26(10-13-33(31)40-3)25-8-5-4-6-9-25/h4-6,8-10,13,18-21,27,35H,7,11-12,14-17,22-23H2,1-3H3
• InChIKey: DJWMPBGPKBZGCF-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 69.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.70
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-(2-methoxy-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?

The IUPAC name of N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(2-methoxy-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide (CID 11555842) is N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(2-methoxy-5-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-(2-methoxy-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide?

The canonical SMILES for N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(2-methoxy-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide is COCCCOc1cc(CN(C(=O)C2=C(c3cc(-c4ccccc4)ccc3OC)CCNC2)C2CC2)cc(OC)c1.

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

The InChIKey is DJWMPBGPKBZGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O5/c1-38-16-7-17-41-29-19-24(18-28(21-29)39-2)23-36(27-11-12-27)34(37)32-22-35-15-14-30(32)31-20-26(10-13-33(31)40-3)25-8-5-4-6-9-25/h4-6,8-10,13,18-21,27,35H,7,11-12,14-17,22-23H2,1-3H3.

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

N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(2-methoxy-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide has a molecular weight of 556.70 g/mol, XLogP of 5.72, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(2-methoxy-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide is sourced from PubChem (CID 11555842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).