N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide

C18H38N2O2 — CID 162684940

IUPACN-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)CCOC(C)(C)CCCCNC(C)(C)C
InChIInChI=1S/C18H38N2O2/c1-15(21)20-17(5,6)12-14-22-18(7,8)11-9-10-13-19-16(2,3)4/h19H,9-14H2,1-8H3,(H,20,21)
InChIKeyCSDVTSHAKSADGJ-UHFFFAOYSA-N
MW314.51 g/mol
LogP3.64
Rot. Bonds10

About N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide

N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide (PubChem CID 162684940) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide
PubChem CID162684940
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC NameN-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)CCOC(C)(C)CCCCNC(C)(C)C
InChIInChI=1S/C18H38N2O2/c1-15(21)20-17(5,6)12-14-22-18(7,8)11-9-10-13-19-16(2,3)4/h19H,9-14H2,1-8H3,(H,20,21)
InChIKeyCSDVTSHAKSADGJ-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 123807188
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
N-[4-(2,5-dimethylnonan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 146359275
N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide
CID 139395323
N-[4-(tert-butylamino)butyl]acetamide
CID 139573721
5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid
CID 90800865
N-[1-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]acetamide
CID 153358317
N-(5-amino-2-methylpentan-2-yl)acetamide
CID 131222896

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide?
The IUPAC name of N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide (CID 162684940) is N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide.
What is the SMILES notation for N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide?
The canonical SMILES for N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide is CC(=O)NC(C)(C)CCOC(C)(C)CCCCNC(C)(C)C.
What is the InChIKey of N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide?
The InChIKey is CSDVTSHAKSADGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-15(21)20-17(5,6)12-14-22-18(7,8)11-9-10-13-19-16(2,3)4/h19H,9-14H2,1-8H3,(H,20,21).
What are the key properties of N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide?
N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide has a molecular weight of 314.51 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide is sourced from PubChem (CID 162684940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).