N-benzyl-2-cyclohexylacetamide

C15H21NO — CID 880904

IUPACN-benzyl-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NCc1ccccc1
InChIInChI=1S/C15H21NO/c17-15(11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,16,17)
InChIKeyGJTUFBPQCIXLCW-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.27
Rot. Bonds4

About N-benzyl-2-cyclohexylacetamide

N-benzyl-2-cyclohexylacetamide (PubChem CID 880904) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-benzyl-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-benzyl-2-cyclohexylacetamide
PubChem CID880904
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-benzyl-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NCc1ccccc1
InChIInChI=1S/C15H21NO/c17-15(11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,16,17)
InChIKeyGJTUFBPQCIXLCW-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclohexylacetamide?
The IUPAC name of N-benzyl-2-cyclohexylacetamide (CID 880904) is N-benzyl-2-cyclohexylacetamide.
What is the SMILES notation for N-benzyl-2-cyclohexylacetamide?
The canonical SMILES for N-benzyl-2-cyclohexylacetamide is O=C(CC1CCCCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-cyclohexylacetamide?
The InChIKey is GJTUFBPQCIXLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15(11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,16,17).
What are the key properties of N-benzyl-2-cyclohexylacetamide?
N-benzyl-2-cyclohexylacetamide has a molecular weight of 231.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclohexylacetamide is sourced from PubChem (CID 880904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).