4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide

C16H27N3O — CID 10446227

IUPAC4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide
SMILESCN(CCc1cnc[nH]1)C(=O)CCCC1CCCCC1
InChIInChI=1S/C16H27N3O/c1-19(11-10-15-12-17-13-18-15)16(20)9-5-8-14-6-3-2-4-7-14/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyYTDOVYZJCIBDCL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.16
Rot. Bonds7

About 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide

4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide (PubChem CID 10446227) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide
PubChem CID10446227
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide
SMILESCN(CCc1cnc[nH]1)C(=O)CCCC1CCCCC1
InChIInChI=1S/C16H27N3O/c1-19(11-10-15-12-17-13-18-15)16(20)9-5-8-14-6-3-2-4-7-14/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyYTDOVYZJCIBDCL-UHFFFAOYSA-N
XLogP3.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide?
The IUPAC name of 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide (CID 10446227) is 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide?
The canonical SMILES for 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide is CN(CCc1cnc[nH]1)C(=O)CCCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide?
The InChIKey is YTDOVYZJCIBDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-19(11-10-15-12-17-13-18-15)16(20)9-5-8-14-6-3-2-4-7-14/h12-14H,2-11H2,1H3,(H,17,18).
What are the key properties of 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide?
4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 10446227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).