N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide

C30H35FN2O6 — CID 153153634

About N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide

N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide (PubChem CID 153153634) has the molecular formula C30H35FN2O6 and a molecular weight of 538.62 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide
• PubChem CID: 153153634
• Molecular Formula: C30H35FN2O6
• Molecular Weight: 538.62 g/mol
• Exact Mass: 538.25
• IUPAC Name: N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide
• SMILES: COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(C)=O)cc(-c3ccc(F)cc3)n2)ccc1OCCO
• InChI: InChI=1S/C30H35FN2O6/c1-19(35)33-29(2,3)22-17-24(20-6-9-23(31)10-7-20)32-28(18-22)30(4,37)13-12-25(36)21-8-11-26(39-15-14-34)27(16-21)38-5/h6-11,16-18,34,37H,12-15H2,1-5H3,(H,33,35)
• InChIKey: WAYTXEMJNQSTGI-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 117.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.62
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide?

The IUPAC name of N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide (CID 153153634) is N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide.

What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide?

The canonical SMILES for N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide is COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(C)=O)cc(-c3ccc(F)cc3)n2)ccc1OCCO.

What is the InChIKey of N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide?

The InChIKey is WAYTXEMJNQSTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN2O6/c1-19(35)33-29(2,3)22-17-24(20-6-9-23(31)10-7-20)32-28(18-22)30(4,37)13-12-25(36)21-8-11-26(39-15-14-34)27(16-21)38-5/h6-11,16-18,34,37H,12-15H2,1-5H3,(H,33,35).

What are the key properties of N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide?

N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide has a molecular weight of 538.62 g/mol, XLogP of 4.51, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide is sourced from PubChem (CID 153153634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).