N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane

C18H38N2O3 — CID 166141093

IUPACN-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
SMILESCC.CC(=O)NC(C)(C)CCOC(C)(C)CCNC(=O)C(C)C
InChIInChI=1S/C16H32N2O3.C2H6/c1-12(2)14(20)17-10-8-16(6,7)21-11-9-15(4,5)18-13(3)19;1-2/h12H,8-11H2,1-7H3,(H,17,20)(H,18,19);1-2H3
InChIKeyYZKKDVHJMPUNPU-UHFFFAOYSA-N
MW330.51 g/mol
LogP3.27
Rot. Bonds9

About N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane

N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane (PubChem CID 166141093) has the molecular formula C18H38N2O3 and a molecular weight of 330.51 g/mol. Its IUPAC name is N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane.

Molecular Properties

Compound NameN-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
PubChem CID166141093
Molecular FormulaC18H38N2O3
Molecular Weight330.51 g/mol
Exact Mass330.29
IUPAC NameN-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
SMILESCC.CC(=O)NC(C)(C)CCOC(C)(C)CCNC(=O)C(C)C
InChIInChI=1S/C16H32N2O3.C2H6/c1-12(2)14(20)17-10-8-16(6,7)21-11-9-15(4,5)18-13(3)19;1-2/h12H,8-11H2,1-7H3,(H,17,20)(H,18,19);1-2H3
InChIKeyYZKKDVHJMPUNPU-UHFFFAOYSA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
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-[4-(2,5-dimethylnonan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 146359275
N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245
N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide
CID 162684940
N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 123807188
2-methyl-N-[2-methyl-4-[2-methyl-1-(methylamino)propan-2-yl]oxybutan-2-yl]propanamide
CID 177202356
N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide
CID 139395323
N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide
CID 142467765
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide
CID 144786289

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane?
The IUPAC name of N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane (CID 166141093) is N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane.
What is the SMILES notation for N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane?
The canonical SMILES for N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane is CC.CC(=O)NC(C)(C)CCOC(C)(C)CCNC(=O)C(C)C.
What is the InChIKey of N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane?
The InChIKey is YZKKDVHJMPUNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3.C2H6/c1-12(2)14(20)17-10-8-16(6,7)21-11-9-15(4,5)18-13(3)19;1-2/h12H,8-11H2,1-7H3,(H,17,20)(H,18,19);1-2H3.
What are the key properties of N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane?
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane has a molecular weight of 330.51 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane is sourced from PubChem (CID 166141093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).