N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide

C15H31NO2 — CID 139539922

IUPACN-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)CCOC(C)(C)CCC(C)C
InChIInChI=1S/C15H31NO2/c1-12(2)8-9-15(6,7)18-11-10-14(4,5)16-13(3)17/h12H,8-11H2,1-7H3,(H,16,17)
InChIKeyZWWVXUANOFNDTK-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.52
Rot. Bonds8

About N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide

N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide (PubChem CID 139539922) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
PubChem CID139539922
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)CCOC(C)(C)CCC(C)C
InChIInChI=1S/C15H31NO2/c1-12(2)8-9-15(6,7)18-11-10-14(4,5)16-13(3)17/h12H,8-11H2,1-7H3,(H,16,17)
InChIKeyZWWVXUANOFNDTK-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2,5-dimethylnonan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 146359275
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245
N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide
CID 139395323
N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 123807188
N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide
CID 162684940
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide
CID 156817336
2-methyl-N-[2-methyl-4-[2-methyl-1-(methylamino)propan-2-yl]oxybutan-2-yl]propanamide
CID 177202356
[4-[4-[[(E)-4,5-dimethylhex-2-enoyl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamothioic S-acid
CID 138568252

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide?
The IUPAC name of N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide (CID 139539922) is N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide.
What is the SMILES notation for N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide?
The canonical SMILES for N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide is CC(=O)NC(C)(C)CCOC(C)(C)CCC(C)C.
What is the InChIKey of N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide?
The InChIKey is ZWWVXUANOFNDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(2)8-9-15(6,7)18-11-10-14(4,5)16-13(3)17/h12H,8-11H2,1-7H3,(H,16,17).
What are the key properties of N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide?
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide has a molecular weight of 257.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide is sourced from PubChem (CID 139539922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).