N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide

C18H33NO2 — CID 71579564

IUPACN-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide
SMILESCC(C)(C)CC(=O)N(CCCCCC=O)C1CCCCC1
InChIInChI=1S/C18H33NO2/c1-18(2,3)15-17(21)19(13-9-4-5-10-14-20)16-11-7-6-8-12-16/h14,16H,4-13,15H2,1-3H3
InChIKeyYVQDJBFUHOHZSN-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.34
Rot. Bonds8

About N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide

N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide (PubChem CID 71579564) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide
PubChem CID71579564
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide
SMILESCC(C)(C)CC(=O)N(CCCCCC=O)C1CCCCC1
InChIInChI=1S/C18H33NO2/c1-18(2,3)15-17(21)19(13-9-4-5-10-14-20)16-11-7-6-8-12-16/h14,16H,4-13,15H2,1-3H3
InChIKeyYVQDJBFUHOHZSN-UHFFFAOYSA-N
XLogP4.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.34
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

2-[1-(3,3-Dimethylbutanoyl)piperidin-2-yl]acetaldehyde
CID 23560591
6-[Methyl(2,2,5,5-tetramethylhexan-3-yl)amino]hexanal
CID 135191326
N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane
CID 143376248
2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide
CID 71579561
N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579562
N-cyclohexyl-N-(6-oxohexyl)acetamide
CID 71579563
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
N-cyclooctyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579652
N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide
CID 161023998

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide?
The IUPAC name of N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide (CID 71579564) is N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide.
What is the SMILES notation for N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide?
The canonical SMILES for N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide is CC(C)(C)CC(=O)N(CCCCCC=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide?
The InChIKey is YVQDJBFUHOHZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-18(2,3)15-17(21)19(13-9-4-5-10-14-20)16-11-7-6-8-12-16/h14,16H,4-13,15H2,1-3H3.
What are the key properties of N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide?
N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide has a molecular weight of 295.47 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide is sourced from PubChem (CID 71579564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).