3-cyclohexyl-N-undecylpropanamide

C20H39NO — CID 5146202

IUPAC3-cyclohexyl-N-undecylpropanamide
SMILESCCCCCCCCCCCNC(=O)CCC1CCCCC1
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-13-18-21-20(22)17-16-19-14-11-10-12-15-19/h19H,2-18H2,1H3,(H,21,22)
InChIKeyXOPURPOPUQHADD-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.99
Rot. Bonds13

About 3-cyclohexyl-N-undecylpropanamide

3-cyclohexyl-N-undecylpropanamide (PubChem CID 5146202) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 3-cyclohexyl-N-undecylpropanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-undecylpropanamide
PubChem CID5146202
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name3-cyclohexyl-N-undecylpropanamide
SMILESCCCCCCCCCCCNC(=O)CCC1CCCCC1
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-13-18-21-20(22)17-16-19-14-11-10-12-15-19/h19H,2-18H2,1H3,(H,21,22)
InChIKeyXOPURPOPUQHADD-UHFFFAOYSA-N
XLogP5.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
2-cyclohexyl-N-octylacetamide
CID 3547359
6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide
CID 108573890
3-cyclopentyl-N-[2-(propylamino)ethyl]propanamide
CID 62658625
3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide
CID 166480001
3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane
CID 159094692
N-butyl-2-(2-cyclohexylethylamino)acetamide
CID 60976119
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
3-cyclohexyl-N-(5-hydroxy-4-methylpentyl)propanamide
CID 113340801
N-(4-chloropentyl)-3-cyclopentylpropanamide
CID 106129653

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-undecylpropanamide?
The IUPAC name of 3-cyclohexyl-N-undecylpropanamide (CID 5146202) is 3-cyclohexyl-N-undecylpropanamide.
What is the SMILES notation for 3-cyclohexyl-N-undecylpropanamide?
The canonical SMILES for 3-cyclohexyl-N-undecylpropanamide is CCCCCCCCCCCNC(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-undecylpropanamide?
The InChIKey is XOPURPOPUQHADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-13-18-21-20(22)17-16-19-14-11-10-12-15-19/h19H,2-18H2,1H3,(H,21,22).
What are the key properties of 3-cyclohexyl-N-undecylpropanamide?
3-cyclohexyl-N-undecylpropanamide has a molecular weight of 309.54 g/mol, XLogP of 5.99, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-undecylpropanamide is sourced from PubChem (CID 5146202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).