N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide

C14H23N3O2 — CID 91777093

IUPACN-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCCc1nccn1CCNC(=O)C1CCC(O)CC1
InChIInChI=1S/C14H23N3O2/c1-2-13-15-7-9-17(13)10-8-16-14(19)11-3-5-12(18)6-4-11/h7,9,11-12,18H,2-6,8,10H2,1H3,(H,16,19)
InChIKeyJJSIVTWCBAAPIW-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.11
Rot. Bonds5

About N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide

N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 91777093) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID91777093
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCCc1nccn1CCNC(=O)C1CCC(O)CC1
InChIInChI=1S/C14H23N3O2/c1-2-13-15-7-9-17(13)10-8-16-14(19)11-3-5-12(18)6-4-11/h7,9,11-12,18H,2-6,8,10H2,1H3,(H,16,19)
InChIKeyJJSIVTWCBAAPIW-UHFFFAOYSA-N
XLogP1.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutanecarbonyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 72851366
(3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97119665
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide
CID 91628946
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91793772
(3S)-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97269177
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 91788745
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91842896
N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide
CID 91952370
N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126430718
(4S)-N-[3-(2-ethylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 125437460

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide (CID 91777093) is N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide is CCc1nccn1CCNC(=O)C1CCC(O)CC1.
What is the InChIKey of N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is JJSIVTWCBAAPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-13-15-7-9-17(13)10-8-16-14(19)11-3-5-12(18)6-4-11/h7,9,11-12,18H,2-6,8,10H2,1H3,(H,16,19).
What are the key properties of N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 91777093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).