N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C27H32F3N3O2 — CID 67483947

About N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 67483947) has the molecular formula C27H32F3N3O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

• Compound Name: N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
• PubChem CID: 67483947
• Molecular Formula: C27H32F3N3O2
• Molecular Weight: 487.57 g/mol
• Exact Mass: 487.24
• IUPAC Name: N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
• SMILES: CC(NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)C(CC1CCCCC1)c1ccccc1C#N
• InChI: InChI=1S/C27H32F3N3O2/c1-18(23(15-19-9-5-4-6-10-19)22-12-8-7-11-20(22)16-31)33-25(34)26(2,3)35-24-14-13-21(17-32-24)27(28,29)30/h7-8,11-14,17-19,23H,4-6,9-10,15H2,1-3H3,(H,33,34)
• InChIKey: RPKBFUKFUAMNHN-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 75.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.57
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The IUPAC name of N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 67483947) is N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

What is the SMILES notation for N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The canonical SMILES for N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is CC(NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)C(CC1CCCCC1)c1ccccc1C#N.

What is the InChIKey of N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The InChIKey is RPKBFUKFUAMNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N3O2/c1-18(23(15-19-9-5-4-6-10-19)22-12-8-7-11-20(22)16-31)33-25(34)26(2,3)35-24-14-13-21(17-32-24)27(28,29)30/h7-8,11-14,17-19,23H,4-6,9-10,15H2,1-3H3,(H,33,34).

What are the key properties of N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 487.57 g/mol, XLogP of 6.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-cyanophenyl)-4-cyclohexylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 67483947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).