N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane

C28H32ClN3O2 — CID 91332393

About N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane

N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane (PubChem CID 91332393) has the molecular formula C28H32ClN3O2 and a molecular weight of 478.04 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane.

Molecular Properties

• Compound Name: N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane
• PubChem CID: 91332393
• Molecular Formula: C28H32ClN3O2
• Molecular Weight: 478.04 g/mol
• Exact Mass: 477.22
• IUPAC Name: N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane
• SMILES: CC.CC(NC(=O)C(C)(C)Oc1ccccn1)C(Cc1ccc(Cl)cc1)c1cccc(C#N)c1
• InChI: InChI=1S/C26H26ClN3O2.C2H6/c1-18(30-25(31)26(2,3)32-24-9-4-5-14-29-24)23(16-19-10-12-22(27)13-11-19)21-8-6-7-20(15-21)17-28;1-2/h4-15,18,23H,16H2,1-3H3,(H,30,31);1-2H3
• InChIKey: NCHACFGHDAJENR-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 75.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.04
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane?

The IUPAC name of N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane (CID 91332393) is N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane.

What is the SMILES notation for N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane?

The canonical SMILES for N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane is CC.CC(NC(=O)C(C)(C)Oc1ccccn1)C(Cc1ccc(Cl)cc1)c1cccc(C#N)c1.

What is the InChIKey of N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane?

The InChIKey is NCHACFGHDAJENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2.C2H6/c1-18(30-25(31)26(2,3)32-24-9-4-5-14-29-24)23(16-19-10-12-22(27)13-11-19)21-8-6-7-20(15-21)17-28;1-2/h4-15,18,23H,16H2,1-3H3,(H,30,31);1-2H3.

What are the key properties of N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane?

N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane has a molecular weight of 478.04 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane is sourced from PubChem (CID 91332393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).