2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide

C21H26N2O4 — CID 176500274

IUPAC2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide
SMILESCOc1ccc(C(O)C(=O)NC2CCC(Oc3cccnc3C)CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-14-19(4-3-13-22-14)27-18-11-7-16(8-12-18)23-21(25)20(24)15-5-9-17(26-2)10-6-15/h3-6,9-10,13,16,18,20,24H,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyPKJQGZHJWZLMQE-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.94
Rot. Bonds6

About 2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide

2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide (PubChem CID 176500274) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide
PubChem CID176500274
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide
SMILESCOc1ccc(C(O)C(=O)NC2CCC(Oc3cccnc3C)CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-14-19(4-3-13-22-14)27-18-11-7-16(8-12-18)23-21(25)20(24)15-5-9-17(26-2)10-6-15/h3-6,9-10,13,16,18,20,24H,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyPKJQGZHJWZLMQE-UHFFFAOYSA-N
XLogP2.94
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide?
The IUPAC name of 2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide (CID 176500274) is 2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide.
What is the SMILES notation for 2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide?
The canonical SMILES for 2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide is COc1ccc(C(O)C(=O)NC2CCC(Oc3cccnc3C)CC2)cc1.
What is the InChIKey of 2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide?
The InChIKey is PKJQGZHJWZLMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-19(4-3-13-22-14)27-18-11-7-16(8-12-18)23-21(25)20(24)15-5-9-17(26-2)10-6-15/h3-6,9-10,13,16,18,20,24H,7-8,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide?
2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-methoxyphenyl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide is sourced from PubChem (CID 176500274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).