4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide

C16H27N3O — CID 115649554

IUPAC4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCc2ncc[nH]2)CC1
InChIInChI=1S/C16H27N3O/c1-2-3-4-13-5-7-14(8-6-13)16(20)19-10-9-15-17-11-12-18-15/h11-14H,2-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyNUYIWGPMCFGQCD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.07
Rot. Bonds7

About 4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide

4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 115649554) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID115649554
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCc2ncc[nH]2)CC1
InChIInChI=1S/C16H27N3O/c1-2-3-4-13-5-7-14(8-6-13)16(20)19-10-9-15-17-11-12-18-15/h11-14H,2-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyNUYIWGPMCFGQCD-UHFFFAOYSA-N
XLogP3.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide (CID 115649554) is 4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCCc2ncc[nH]2)CC1.
What is the InChIKey of 4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is NUYIWGPMCFGQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-3-4-13-5-7-14(8-6-13)16(20)19-10-9-15-17-11-12-18-15/h11-14H,2-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide?
4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115649554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).