N-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide

C30H28Cl4N2O3 — CID 10393895

About N-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide

N-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide (PubChem CID 10393895) has the molecular formula C30H28Cl4N2O3 and a molecular weight of 606.38 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
• PubChem CID: 10393895
• Molecular Formula: C30H28Cl4N2O3
• Molecular Weight: 606.38 g/mol
• Exact Mass: 604.09
• IUPAC Name: N-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
• SMILES: O=C(C1=C(c2ccc(OCCOc3cccc(Cl)c3Cl)cc2)CCNC1)N(Cc1cccc(Cl)c1Cl)C1CC1
• InChI: InChI=1S/C30H28Cl4N2O3/c31-25-4-1-3-20(28(25)33)18-36(21-9-10-21)30(37)24-17-35-14-13-23(24)19-7-11-22(12-8-19)38-15-16-39-27-6-2-5-26(32)29(27)34/h1-8,11-12,21,35H,9-10,13-18H2
• InChIKey: LEGSVKJTMKALHV-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.38
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	1
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-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide?

The IUPAC name of N-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide (CID 10393895) is N-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide.

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

The canonical SMILES for N-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide is O=C(C1=C(c2ccc(OCCOc3cccc(Cl)c3Cl)cc2)CCNC1)N(Cc1cccc(Cl)c1Cl)C1CC1.

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

The InChIKey is LEGSVKJTMKALHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl4N2O3/c31-25-4-1-3-20(28(25)33)18-36(21-9-10-21)30(37)24-17-35-14-13-23(24)19-7-11-22(12-8-19)38-15-16-39-27-6-2-5-26(32)29(27)34/h1-8,11-12,21,35H,9-10,13-18H2.

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

N-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide has a molecular weight of 606.38 g/mol, XLogP of 7.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide is sourced from PubChem (CID 10393895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).