2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane

C27H60N2O3 — CID 162756506

IUPAC2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane
SMILESCC.CC.CCCC(C)(C)OCCC(C)(C)C(=O)NCCC(C)(C)OCCC(C)(C)NC
InChIInChI=1S/C23H48N2O3.2C2H6/c1-11-12-22(6,7)27-17-14-20(2,3)19(26)25-16-13-23(8,9)28-18-15-21(4,5)24-10;2*1-2/h24H,11-18H2,1-10H3,(H,25,26);2*1-2H3
InChIKeyWHJWCTYCWCBNPQ-UHFFFAOYSA-N
MW460.79 g/mol
LogP6.74
Rot. Bonds15

About 2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane

2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane (PubChem CID 162756506) has the molecular formula C27H60N2O3 and a molecular weight of 460.79 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane
PubChem CID162756506
Molecular FormulaC27H60N2O3
Molecular Weight460.79 g/mol
Exact Mass460.46
IUPAC Name2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane
SMILESCC.CC.CCCC(C)(C)OCCC(C)(C)C(=O)NCCC(C)(C)OCCC(C)(C)NC
InChIInChI=1S/C23H48N2O3.2C2H6/c1-11-12-22(6,7)27-17-14-20(2,3)19(26)25-16-13-23(8,9)28-18-15-21(4,5)24-10;2*1-2/h24H,11-18H2,1-10H3,(H,25,26);2*1-2H3
InChIKeyWHJWCTYCWCBNPQ-UHFFFAOYSA-N
XLogP6.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.79
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid
CID 134502976
N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide
CID 162756252
N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
CID 129027495
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide
CID 134174558
3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide
CID 134502890
4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol
CID 168959673
N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide
CID 156710702
2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
CID 123714443
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
N-methyl-2-(2-methylpentan-2-yloxy)ethanamine
CID 144977046
N-methyl-2-[2-(2-methylpentan-2-yloxy)ethoxy]acetamide
CID 166730060

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane?
The IUPAC name of 2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane (CID 162756506) is 2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane.
What is the SMILES notation for 2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane?
The canonical SMILES for 2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane is CC.CC.CCCC(C)(C)OCCC(C)(C)C(=O)NCCC(C)(C)OCCC(C)(C)NC.
What is the InChIKey of 2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane?
The InChIKey is WHJWCTYCWCBNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O3.2C2H6/c1-11-12-22(6,7)27-17-14-20(2,3)19(26)25-16-13-23(8,9)28-18-15-21(4,5)24-10;2*1-2/h24H,11-18H2,1-10H3,(H,25,26);2*1-2H3.
What are the key properties of 2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane?
2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane has a molecular weight of 460.79 g/mol, XLogP of 6.74, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane is sourced from PubChem (CID 162756506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).