1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one

C15H24N2O2 — CID 116751307

IUPAC1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one
SMILESCCOC(C(=O)Cc1nccn1C)C1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-3-19-15(12-7-5-4-6-8-12)13(18)11-14-16-9-10-17(14)2/h9-10,12,15H,3-8,11H2,1-2H3
InChIKeyTUENNKCKVYONRN-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.52
Rot. Bonds6

About 1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one

1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one (PubChem CID 116751307) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one
PubChem CID116751307
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one
SMILESCCOC(C(=O)Cc1nccn1C)C1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-3-19-15(12-7-5-4-6-8-12)13(18)11-14-16-9-10-17(14)2/h9-10,12,15H,3-8,11H2,1-2H3
InChIKeyTUENNKCKVYONRN-UHFFFAOYSA-N
XLogP2.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone
CID 116751341
3-amino-4-methoxy-1-(1-methylimidazol-2-yl)butan-2-one
CID 116594114
1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116751208
1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
CID 116751239
[1-cyclohexyl-1-ethoxy-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105278913
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
1-cycloheptyl-1-ethoxypentan-2-one
CID 83226001
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one
CID 107308047
(2R)-2-cyclohexyl-N-cyclopropyl-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 90652770
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 116751294
3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
CID 116549035
1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one
CID 107047497

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one?
The IUPAC name of 1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one (CID 116751307) is 1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one is CCOC(C(=O)Cc1nccn1C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one?
The InChIKey is TUENNKCKVYONRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-19-15(12-7-5-4-6-8-12)13(18)11-14-16-9-10-17(14)2/h9-10,12,15H,3-8,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one?
1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one has a molecular weight of 264.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one is sourced from PubChem (CID 116751307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).