N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane

C17H41NO2 — CID 153336694

IUPACN-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane
SMILESC.CC.CC.CC.CC(=O)NC(C)(C)CC(C)C(C)=O
InChIInChI=1S/C10H19NO2.3C2H6.CH4/c1-7(8(2)12)6-10(4,5)11-9(3)13;3*1-2;/h7H,6H2,1-5H3,(H,11,13);3*1-2H3;1H4
InChIKeyKBFQUUQJKRSEDB-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.23
Rot. Bonds4

About N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane

N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane (PubChem CID 153336694) has the molecular formula C17H41NO2 and a molecular weight of 291.52 g/mol. Its IUPAC name is N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane.

Molecular Properties

Compound NameN-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane
PubChem CID153336694
Molecular FormulaC17H41NO2
Molecular Weight291.52 g/mol
Exact Mass291.31
IUPAC NameN-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane
SMILESC.CC.CC.CC.CC(=O)NC(C)(C)CC(C)C(C)=O
InChIInChI=1S/C10H19NO2.3C2H6.CH4/c1-7(8(2)12)6-10(4,5)11-9(3)13;3*1-2;/h7H,6H2,1-5H3,(H,11,13);3*1-2H3;1H4
InChIKeyKBFQUUQJKRSEDB-UHFFFAOYSA-N
XLogP5.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide
CID 153336695
ethane;N-(2-methylbutan-2-yl)acetamide
CID 142252022
5-hydroxy-3,5-dimethylhexan-2-one
CID 79428904
N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
CID 142527857
N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide
CID 139120888
N-[1-(dimethylamino)-2-methylpropan-2-yl]acetamide;ethane
CID 145224107
N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide
CID 124674767
N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide
CID 163676270
N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide
CID 124636333
(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890
4-acetamido-N,2,2,4-tetramethylpentanamide
CID 130219137
N-[2-methyl-3-(methylamino)butan-2-yl]acetamide
CID 170339118

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane?
The IUPAC name of N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane (CID 153336694) is N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane.
What is the SMILES notation for N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane?
The canonical SMILES for N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane is C.CC.CC.CC.CC(=O)NC(C)(C)CC(C)C(C)=O.
What is the InChIKey of N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane?
The InChIKey is KBFQUUQJKRSEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.3C2H6.CH4/c1-7(8(2)12)6-10(4,5)11-9(3)13;3*1-2;/h7H,6H2,1-5H3,(H,11,13);3*1-2H3;1H4.
What are the key properties of N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane?
N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane has a molecular weight of 291.52 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane is sourced from PubChem (CID 153336694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).