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

C18H33NO2 — CID 71579561

IUPAC2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide
SMILESCC1CCCCC1N(CCCCCC=O)C(=O)C(C)(C)C
InChIInChI=1S/C18H33NO2/c1-15-11-7-8-12-16(15)19(17(21)18(2,3)4)13-9-5-6-10-14-20/h14-16H,5-13H2,1-4H3
InChIKeyRCVXHCCDKHRAKO-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.20
Rot. Bonds7

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

2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide (PubChem CID 71579561) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide
PubChem CID71579561
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide
SMILESCC1CCCCC1N(CCCCCC=O)C(=O)C(C)(C)C
InChIInChI=1S/C18H33NO2/c1-15-11-7-8-12-16(15)19(17(21)18(2,3)4)13-9-5-6-10-14-20/h14-16H,5-13H2,1-4H3
InChIKeyRCVXHCCDKHRAKO-UHFFFAOYSA-N
XLogP4.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.20
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-methyl-N-(2-oxoethyl)cyclohexanecarboxamide
CID 28272223
N-cyclohexyl-N,2-diethylhexanamide
CID 54244799
N-(11-formyloctadecyl)-N-methylacetamide
CID 54558053
N-cyclohexyl-N-(2,2-dimethylpropyl)cyclohexanecarboxamide
CID 57592389
N-(2,2-dimethyl-3-oxopropyl)-2-ethyl-N-methylhexanamide
CID 87094243
N-(10-formyloctadecyl)-N-methylacetamide
CID 88522530
1-N,1-N,4-N,4-N-tetra(propan-2-yl)cyclohexane-1,4-dicarboxamide
CID 117874622
Racemic-1,1-dimethylethyl[(1s,2r)-2-formylcyclohexyl]carbamate
CID 131731663
N-[(3R,4S,5S)-3-ethyl-5-methyl-1-oxooctan-4-yl]-N-methylpentanamide
CID 134421864
2-cyclohexyl-N-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]acetamide
CID 141835497
acetaldehyde;N-(cyclohexylmethyl)-N,2-dimethyl-4-oxobutanamide;ethane;methane
CID 142354533
butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide
CID 143376165

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide (CID 71579561) is 2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide is CC1CCCCC1N(CCCCCC=O)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide?
The InChIKey is RCVXHCCDKHRAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-15-11-7-8-12-16(15)19(17(21)18(2,3)4)13-9-5-6-10-14-20/h14-16H,5-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide?
2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide has a molecular weight of 295.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylcyclohexyl)-N-(6-oxohexyl)propanamide is sourced from PubChem (CID 71579561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).