2-cyclohexyl-N-dodecylacetamide

C20H39NO — CID 22978779

IUPAC2-cyclohexyl-N-dodecylacetamide
SMILESCCCCCCCCCCCCNC(=O)CC1CCCCC1
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-14-17-21-20(22)18-19-15-12-11-13-16-19/h19H,2-18H2,1H3,(H,21,22)
InChIKeyQERTYZJJDCQJGI-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.99
Rot. Bonds13

About 2-cyclohexyl-N-dodecylacetamide

2-cyclohexyl-N-dodecylacetamide (PubChem CID 22978779) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 2-cyclohexyl-N-dodecylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-dodecylacetamide
PubChem CID22978779
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name2-cyclohexyl-N-dodecylacetamide
SMILESCCCCCCCCCCCCNC(=O)CC1CCCCC1
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-14-17-21-20(22)18-19-15-12-11-13-16-19/h19H,2-18H2,1H3,(H,21,22)
InChIKeyQERTYZJJDCQJGI-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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-dodecylacetamide?
The IUPAC name of 2-cyclohexyl-N-dodecylacetamide (CID 22978779) is 2-cyclohexyl-N-dodecylacetamide.
What is the SMILES notation for 2-cyclohexyl-N-dodecylacetamide?
The canonical SMILES for 2-cyclohexyl-N-dodecylacetamide is CCCCCCCCCCCCNC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-dodecylacetamide?
The InChIKey is QERTYZJJDCQJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-14-17-21-20(22)18-19-15-12-11-13-16-19/h19H,2-18H2,1H3,(H,21,22).
What are the key properties of 2-cyclohexyl-N-dodecylacetamide?
2-cyclohexyl-N-dodecylacetamide 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 2-cyclohexyl-N-dodecylacetamide is sourced from PubChem (CID 22978779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).