3-oxo-N-(2-oxocyclohexyl)dodecanamide

C18H31NO3 — CID 10470602

IUPAC3-oxo-N-(2-oxocyclohexyl)dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)NC1CCCCC1=O
InChIInChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-11-15(20)14-18(22)19-16-12-9-10-13-17(16)21/h16H,2-14H2,1H3,(H,19,22)
InChIKeyJDVHCWYKJODEND-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.71
Rot. Bonds11

About 3-oxo-N-(2-oxocyclohexyl)dodecanamide

3-oxo-N-(2-oxocyclohexyl)dodecanamide (PubChem CID 10470602) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-oxo-N-(2-oxocyclohexyl)dodecanamide.

Molecular Properties

Compound Name3-oxo-N-(2-oxocyclohexyl)dodecanamide
PubChem CID10470602
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name3-oxo-N-(2-oxocyclohexyl)dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)NC1CCCCC1=O
InChIInChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-11-15(20)14-18(22)19-16-12-9-10-13-17(16)21/h16H,2-14H2,1H3,(H,19,22)
InChIKeyJDVHCWYKJODEND-UHFFFAOYSA-N
XLogP3.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-oxocyclohexyl)dodecanamide?
The IUPAC name of 3-oxo-N-(2-oxocyclohexyl)dodecanamide (CID 10470602) is 3-oxo-N-(2-oxocyclohexyl)dodecanamide.
What is the SMILES notation for 3-oxo-N-(2-oxocyclohexyl)dodecanamide?
The canonical SMILES for 3-oxo-N-(2-oxocyclohexyl)dodecanamide is CCCCCCCCCC(=O)CC(=O)NC1CCCCC1=O.
What is the InChIKey of 3-oxo-N-(2-oxocyclohexyl)dodecanamide?
The InChIKey is JDVHCWYKJODEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-11-15(20)14-18(22)19-16-12-9-10-13-17(16)21/h16H,2-14H2,1H3,(H,19,22).
What are the key properties of 3-oxo-N-(2-oxocyclohexyl)dodecanamide?
3-oxo-N-(2-oxocyclohexyl)dodecanamide has a molecular weight of 309.45 g/mol, XLogP of 3.71, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-oxocyclohexyl)dodecanamide is sourced from PubChem (CID 10470602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).