2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone

C22H37N3O3 — CID 127734895

IUPAC2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCc1nn(C)c(C)c1C1COCCN1C(=O)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C22H37N3O3/c1-14(2)18-8-7-15(3)11-20(18)28-13-21(26)25-9-10-27-12-19(25)22-16(4)23-24(6)17(22)5/h14-15,18-20H,7-13H2,1-6H3
InChIKeyUVWUYMOYLUOQHG-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.41
Rot. Bonds5

About 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone

2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone (PubChem CID 127734895) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
PubChem CID127734895
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCc1nn(C)c(C)c1C1COCCN1C(=O)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C22H37N3O3/c1-14(2)18-8-7-15(3)11-20(18)28-13-21(26)25-9-10-27-12-19(25)22-16(4)23-24(6)17(22)5/h14-15,18-20H,7-13H2,1-6H3
InChIKeyUVWUYMOYLUOQHG-UHFFFAOYSA-N
XLogP3.41
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone (CID 127734895) is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone is Cc1nn(C)c(C)c1C1COCCN1C(=O)COC1CC(C)CCC1C(C)C.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The InChIKey is UVWUYMOYLUOQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-14(2)18-8-7-15(3)11-20(18)28-13-21(26)25-9-10-27-12-19(25)22-16(4)23-24(6)17(22)5/h14-15,18-20H,7-13H2,1-6H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone has a molecular weight of 391.56 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 127734895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).