N-(2,4,4,5-tetramethylhexan-2-yl)acetamide

C12H25NO — CID 142527857

IUPACN-(2,4,4,5-tetramethylhexan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)CC(C)(C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)11(4,5)8-12(6,7)13-10(3)14/h9H,8H2,1-7H3,(H,13,14)
InChIKeyGJVMKLKZASQXGD-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.97
Rot. Bonds4

About N-(2,4,4,5-tetramethylhexan-2-yl)acetamide

N-(2,4,4,5-tetramethylhexan-2-yl)acetamide (PubChem CID 142527857) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2,4,4,5-tetramethylhexan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4,4,5-tetramethylhexan-2-yl)acetamide
PubChem CID142527857
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2,4,4,5-tetramethylhexan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)CC(C)(C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)11(4,5)8-12(6,7)13-10(3)14/h9H,8H2,1-7H3,(H,13,14)
InChIKeyGJVMKLKZASQXGD-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4,5-tetramethylhexan-2-yl)acetamide?
The IUPAC name of N-(2,4,4,5-tetramethylhexan-2-yl)acetamide (CID 142527857) is N-(2,4,4,5-tetramethylhexan-2-yl)acetamide.
What is the SMILES notation for N-(2,4,4,5-tetramethylhexan-2-yl)acetamide?
The canonical SMILES for N-(2,4,4,5-tetramethylhexan-2-yl)acetamide is CC(=O)NC(C)(C)CC(C)(C)C(C)C.
What is the InChIKey of N-(2,4,4,5-tetramethylhexan-2-yl)acetamide?
The InChIKey is GJVMKLKZASQXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11(4,5)8-12(6,7)13-10(3)14/h9H,8H2,1-7H3,(H,13,14).
What are the key properties of N-(2,4,4,5-tetramethylhexan-2-yl)acetamide?
N-(2,4,4,5-tetramethylhexan-2-yl)acetamide has a molecular weight of 199.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4,5-tetramethylhexan-2-yl)acetamide is sourced from PubChem (CID 142527857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).