N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide

C32H34N4O3 — CID 58396408

About N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide

N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide (PubChem CID 58396408) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide
• PubChem CID: 58396408
• Molecular Formula: C32H34N4O3
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.26
• IUPAC Name: N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide
• SMILES: CCc1nccc(-c2cccnc2Oc2cccc(C(=O)Nc3cc(C4CCCCC4)ccc3OC)c2C)n1
• InChI: InChI=1S/C32H34N4O3/c1-4-30-33-19-17-26(35-30)25-13-9-18-34-32(25)39-28-14-8-12-24(21(28)2)31(37)36-27-20-23(15-16-29(27)38-3)22-10-6-5-7-11-22/h8-9,12-20,22H,4-7,10-11H2,1-3H3,(H,36,37)
• InChIKey: XGRXNHVZZARPNT-UHFFFAOYSA-N
• XLogP: 7.51
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide?

The IUPAC name of N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide (CID 58396408) is N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide.

What is the SMILES notation for N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide?

The canonical SMILES for N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide is CCc1nccc(-c2cccnc2Oc2cccc(C(=O)Nc3cc(C4CCCCC4)ccc3OC)c2C)n1.

What is the InChIKey of N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide?

The InChIKey is XGRXNHVZZARPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-4-30-33-19-17-26(35-30)25-13-9-18-34-32(25)39-28-14-8-12-24(21(28)2)31(37)36-27-20-23(15-16-29(27)38-3)22-10-6-5-7-11-22/h8-9,12-20,22H,4-7,10-11H2,1-3H3,(H,36,37).

What are the key properties of N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide?

N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide has a molecular weight of 522.65 g/mol, XLogP of 7.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide is sourced from PubChem (CID 58396408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).