(1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone

C16H26N2O2 — CID 116750075

IUPAC(1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCOC1(C(=O)c2nccn2CC)CCC(C)(C)CC1
InChIInChI=1S/C16H26N2O2/c1-5-18-12-11-17-14(18)13(19)16(20-6-2)9-7-15(3,4)8-10-16/h11-12H,5-10H2,1-4H3
InChIKeyAPKYSJFINXFHGM-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.46
Rot. Bonds5

About (1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone

(1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone (PubChem CID 116750075) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
PubChem CID116750075
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCOC1(C(=O)c2nccn2CC)CCC(C)(C)CC1
InChIInChI=1S/C16H26N2O2/c1-5-18-12-11-17-14(18)13(19)16(20-6-2)9-7-15(3,4)8-10-16/h11-12H,5-10H2,1-4H3
InChIKeyAPKYSJFINXFHGM-UHFFFAOYSA-N
XLogP3.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
(1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone
CID 116749514
(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
CID 114973020
(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone
CID 116706985
(1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone
CID 105101153
(1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
CID 80683731
(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 107186966
(3,5-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
CID 116750038
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116750146
(1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608218
2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone
CID 116599518
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of (1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone (CID 116750075) is (1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for (1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for (1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone is CCOC1(C(=O)c2nccn2CC)CCC(C)(C)CC1.
What is the InChIKey of (1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone?
The InChIKey is APKYSJFINXFHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-18-12-11-17-14(18)13(19)16(20-6-2)9-7-15(3,4)8-10-16/h11-12H,5-10H2,1-4H3.
What are the key properties of (1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone?
(1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone has a molecular weight of 278.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 116750075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).