N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide

C17H24N2O3 — CID 86796662

IUPACN-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NC1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C17H24N2O3/c20-16(11-15-4-2-10-22-15)19-14-5-7-17(21,8-6-14)13-3-1-9-18-12-13/h1,3,9,12,14-15,21H,2,4-8,10-11H2,(H,19,20)
InChIKeyWAPLSJFOGGNXLO-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.90
Rot. Bonds4

About N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide

N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide (PubChem CID 86796662) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide
PubChem CID86796662
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NC1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C17H24N2O3/c20-16(11-15-4-2-10-22-15)19-14-5-7-17(21,8-6-14)13-3-1-9-18-12-13/h1,3,9,12,14-15,21H,2,4-8,10-11H2,(H,19,20)
InChIKeyWAPLSJFOGGNXLO-UHFFFAOYSA-N
XLogP1.90
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide (CID 86796662) is N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)NC1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is WAPLSJFOGGNXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(11-15-4-2-10-22-15)19-14-5-7-17(21,8-6-14)13-3-1-9-18-12-13/h1,3,9,12,14-15,21H,2,4-8,10-11H2,(H,19,20).
What are the key properties of N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide?
N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 86796662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).