2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone

C16H26N2O2 — CID 116751341

IUPAC2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1C(=O)C(OCC)C1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-3-11-18-12-10-17-16(18)14(19)15(20-4-2)13-8-6-5-7-9-13/h10,12-13,15H,3-9,11H2,1-2H3
InChIKeyNNLQSFXUAMPFSZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.46
Rot. Bonds7

About 2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone

2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone (PubChem CID 116751341) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone
PubChem CID116751341
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1C(=O)C(OCC)C1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-3-11-18-12-10-17-16(18)14(19)15(20-4-2)13-8-6-5-7-9-13/h10,12-13,15H,3-9,11H2,1-2H3
InChIKeyNNLQSFXUAMPFSZ-UHFFFAOYSA-N
XLogP3.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone (CID 116751341) is 2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1C(=O)C(OCC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone?
The InChIKey is NNLQSFXUAMPFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-11-18-12-10-17-16(18)14(19)15(20-4-2)13-8-6-5-7-9-13/h10,12-13,15H,3-9,11H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone?
2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone has a molecular weight of 278.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 116751341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).