N-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide

C12H24N2O2 — CID 154116684

IUPACN-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)CCC(C)(C)NC(C)=O
InChIInChI=1S/C12H24N2O2/c1-9(15)13-11(3,4)7-8-12(5,6)14-10(2)16/h7-8H2,1-6H3,(H,13,15)(H,14,16)
InChIKeyBKJOQWNAMRHWEK-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.60
Rot. Bonds5

About N-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide

N-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide (PubChem CID 154116684) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide
PubChem CID154116684
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)CCC(C)(C)NC(C)=O
InChIInChI=1S/C12H24N2O2/c1-9(15)13-11(3,4)7-8-12(5,6)14-10(2)16/h7-8H2,1-6H3,(H,13,15)(H,14,16)
InChIKeyBKJOQWNAMRHWEK-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-Methylcyclopentyl)acetamide
CID 12491356
N-(2,4-dimethylpentan-2-yl)acetamide
CID 20741841
Propylisopropyl acetamide
CID 54192233
N-(1-fluoro-3-methylhexan-3-yl)acetamide
CID 121430068
3-Acetamido-3-methylheptane
CID 567802
Heptane, 4-acetamido-4-ethyl-
CID 567916
3-Acetamido-3-methyldecane
CID 575138
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4-Acetamido-4-propyloctane
CID 581888

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide?
The IUPAC name of N-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide (CID 154116684) is N-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide.
What is the SMILES notation for N-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide?
The canonical SMILES for N-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide is CC(=O)NC(C)(C)CCC(C)(C)NC(C)=O.
What is the InChIKey of N-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide?
The InChIKey is BKJOQWNAMRHWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(15)13-11(3,4)7-8-12(5,6)14-10(2)16/h7-8H2,1-6H3,(H,13,15)(H,14,16).
What are the key properties of N-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide?
N-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide has a molecular weight of 228.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2,5-dimethylhexan-2-yl)acetamide is sourced from PubChem (CID 154116684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).