N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide

C17H31NO2 — CID 15883413

IUPACN-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCCCC(=O)C1CCCCC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)16(20)18-13-9-5-8-12-15(19)14-10-6-4-7-11-14/h14H,4-13H2,1-3H3,(H,18,20)
InChIKeyHPJUWHIJEFCYSY-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.86
Rot. Bonds7

About N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide

N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide (PubChem CID 15883413) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide
PubChem CID15883413
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCCCC(=O)C1CCCCC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)16(20)18-13-9-5-8-12-15(19)14-10-6-4-7-11-14/h14H,4-13H2,1-3H3,(H,18,20)
InChIKeyHPJUWHIJEFCYSY-UHFFFAOYSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide (CID 15883413) is N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCCCC(=O)C1CCCCC1.
What is the InChIKey of N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide?
The InChIKey is HPJUWHIJEFCYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-17(2,3)16(20)18-13-9-5-8-12-15(19)14-10-6-4-7-11-14/h14H,4-13H2,1-3H3,(H,18,20).
What are the key properties of N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide?
N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide has a molecular weight of 281.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 15883413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).