N-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide

C20H33N3O2 — CID 50966621

IUPACN-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2cn[nH]c2C2CCCCC2)C1
InChIInChI=1S/C20H33N3O2/c1-13(2)9-17-10-16(22-14(3)24)11-19(25-17)18-12-21-23-20(18)15-7-5-4-6-8-15/h12-13,15-17,19H,4-11H2,1-3H3,(H,21,23)(H,22,24)/t16-,17+,19+/m1/s1
InChIKeyVPXUPSSYONFEKJ-AOIWGVFYSA-N
MW347.50 g/mol
LogP4.23
Rot. Bonds5

About N-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide

N-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide (PubChem CID 50966621) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide
PubChem CID50966621
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2cn[nH]c2C2CCCCC2)C1
InChIInChI=1S/C20H33N3O2/c1-13(2)9-17-10-16(22-14(3)24)11-19(25-17)18-12-21-23-20(18)15-7-5-4-6-8-15/h12-13,15-17,19H,4-11H2,1-3H3,(H,21,23)(H,22,24)/t16-,17+,19+/m1/s1
InChIKeyVPXUPSSYONFEKJ-AOIWGVFYSA-N
XLogP4.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide (CID 50966621) is N-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2cn[nH]c2C2CCCCC2)C1.
What is the InChIKey of N-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide?
The InChIKey is VPXUPSSYONFEKJ-AOIWGVFYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-13(2)9-17-10-16(22-14(3)24)11-19(25-17)18-12-21-23-20(18)15-7-5-4-6-8-15/h12-13,15-17,19H,4-11H2,1-3H3,(H,21,23)(H,22,24)/t16-,17+,19+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide?
N-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-(5-cyclohexyl-1H-pyrazol-4-yl)-6-(2-methylpropyl)oxan-4-yl]acetamide is sourced from PubChem (CID 50966621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).