N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide

C17H31NO2 — CID 71579562

IUPACN-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)C1CCCCC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)16(20)18(13-9-4-5-10-14-19)15-11-7-6-8-12-15/h14-15H,4-13H2,1-3H3
InChIKeyGGLKPCYJWQOAEW-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.95
Rot. Bonds7

About N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide

N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide (PubChem CID 71579562) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
PubChem CID71579562
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)C1CCCCC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)16(20)18(13-9-4-5-10-14-19)15-11-7-6-8-12-15/h14-15H,4-13H2,1-3H3
InChIKeyGGLKPCYJWQOAEW-UHFFFAOYSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-6-oxohexanamide
CID 10899353
6-oxo-N,N-di(propan-2-yl)hexanamide
CID 89227332
N-methyl-N-(6-oxohexyl)propanamide
CID 137412946
N-butan-2-yl-N-cyclohexylhexanamide
CID 153425268
1-Butanoylpiperidine-2-carbaldehyde
CID 54501812
2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide
CID 71579561
N-cyclohexyl-N-(6-oxohexyl)acetamide
CID 71579563
N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide
CID 71579564
N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579648
N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579649
N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579650
N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579651

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The IUPAC name of N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide (CID 71579562) is N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide.
What is the SMILES notation for N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The canonical SMILES for N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide is CC(C)(C)C(=O)N(CCCCCC=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The InChIKey is GGLKPCYJWQOAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-17(2,3)16(20)18(13-9-4-5-10-14-19)15-11-7-6-8-12-15/h14-15H,4-13H2,1-3H3.
What are the key properties of N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide has a molecular weight of 281.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide is sourced from PubChem (CID 71579562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).