2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane

C18H35NO2 — CID 145466352

IUPAC2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane
SMILESCC.CCC(=O)C(NC(=O)CC1CCCCC1)C(C)(C)C
InChIInChI=1S/C16H29NO2.C2H6/c1-5-13(18)15(16(2,3)4)17-14(19)11-12-9-7-6-8-10-12;1-2/h12,15H,5-11H2,1-4H3,(H,17,19);1-2H3
InChIKeyKTVJGHLMHLQFTA-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.49
Rot. Bonds5

About 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane

2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane (PubChem CID 145466352) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane.

Molecular Properties

Compound Name2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane
PubChem CID145466352
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane
SMILESCC.CCC(=O)C(NC(=O)CC1CCCCC1)C(C)(C)C
InChIInChI=1S/C16H29NO2.C2H6/c1-5-13(18)15(16(2,3)4)17-14(19)11-12-9-7-6-8-10-12;1-2/h12,15H,5-11H2,1-4H3,(H,17,19);1-2H3
InChIKeyKTVJGHLMHLQFTA-UHFFFAOYSA-N
XLogP4.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
CID 104928854
2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide
CID 145466463
(2R)-2-[(2-cyclobutylacetyl)amino]-3,3-dimethylbutanoic acid
CID 103162147
N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane
CID 145466520
2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid
CID 43467501
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
CID 106356110
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
N-(1-bromopentan-3-yl)-2-cycloheptylacetamide
CID 114459144
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)-2-(1-methoxycyclopropyl)acetamide;ethane
CID 145466692
N-(1-amino-4,4-dimethylpentan-3-yl)-2-cyclopentylacetamide
CID 114178189

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane?
The IUPAC name of 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane (CID 145466352) is 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane.
What is the SMILES notation for 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane?
The canonical SMILES for 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane is CC.CCC(=O)C(NC(=O)CC1CCCCC1)C(C)(C)C.
What is the InChIKey of 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane?
The InChIKey is KTVJGHLMHLQFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2.C2H6/c1-5-13(18)15(16(2,3)4)17-14(19)11-12-9-7-6-8-10-12;1-2/h12,15H,5-11H2,1-4H3,(H,17,19);1-2H3.
What are the key properties of 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane?
2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane has a molecular weight of 297.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane is sourced from PubChem (CID 145466352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).