N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide

C26H48N4O6 — CID 139120888

IUPACN-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)CC(=O)CC(C)(C)NC(C)=O.CC(=O)NC(C)(C)CC(=O)CC(C)(C)NC(C)=O
InChIInChI=1S/2C13H24N2O3/c2*1-9(16)14-12(3,4)7-11(18)8-13(5,6)15-10(2)17/h2*7-8H2,1-6H3,(H,14,16)(H,15,17)
InChIKeyFIBZWHFWOQIAPC-UHFFFAOYSA-N
MW512.69 g/mol
LogP2.33
Rot. Bonds12

About N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide

N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide (PubChem CID 139120888) has the molecular formula C26H48N4O6 and a molecular weight of 512.69 g/mol. Its IUPAC name is N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide
PubChem CID139120888
Molecular FormulaC26H48N4O6
Molecular Weight512.69 g/mol
Exact Mass512.36
IUPAC NameN-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)CC(=O)CC(C)(C)NC(C)=O.CC(=O)NC(C)(C)CC(=O)CC(C)(C)NC(C)=O
InChIInChI=1S/2C13H24N2O3/c2*1-9(16)14-12(3,4)7-11(18)8-13(5,6)15-10(2)17/h2*7-8H2,1-6H3,(H,14,16)(H,15,17)
InChIKeyFIBZWHFWOQIAPC-UHFFFAOYSA-N
XLogP2.33
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.69
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;N-(2-methylbutan-2-yl)acetamide
CID 142252022
N-[(4E)-4-(hydroxymethylidene)-2-methylhexan-2-yl]acetamide
CID 130412607
N-[1-(dimethylamino)-2-methylpropan-2-yl]acetamide;ethane
CID 145224107
N-(5-amino-2-methylpentan-2-yl)acetamide
CID 131222896
N-(2-methylpent-4-en-2-yl)acetamide
CID 54506762
N-[(Z)-7,7,7-trichloro-6-hydroxy-2-methyl-4-oxohept-5-en-2-yl]acetamide
CID 23239290
N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide
CID 153336695
N-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)acetamide
CID 166829740
N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
CID 142527857
N-(2,4,4-trimethylheptan-2-yl)acetamide
CID 170293406
N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 123807188
4-acetamido-N,2,2,4-tetramethylpentanamide
CID 130219137

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide?
The IUPAC name of N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide (CID 139120888) is N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide.
What is the SMILES notation for N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide?
The canonical SMILES for N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide is CC(=O)NC(C)(C)CC(=O)CC(C)(C)NC(C)=O.CC(=O)NC(C)(C)CC(=O)CC(C)(C)NC(C)=O.
What is the InChIKey of N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide?
The InChIKey is FIBZWHFWOQIAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H24N2O3/c2*1-9(16)14-12(3,4)7-11(18)8-13(5,6)15-10(2)17/h2*7-8H2,1-6H3,(H,14,16)(H,15,17).
What are the key properties of N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide?
N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide has a molecular weight of 512.69 g/mol, XLogP of 2.33, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide is sourced from PubChem (CID 139120888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).