3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium

C27H55N2O4Y- — CID 169190577

IUPAC3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium
SMILESCC(C)CC([NH-])=O.CCC(C)CC(C)(C)OCC(C)(C)C(=O)NCCC(C)(C)OCC(C)C.[Y]
InChIInChI=1S/C22H45NO3.C5H11NO.Y/c1-11-18(4)14-22(9,10)26-16-20(5,6)19(24)23-13-12-21(7,8)25-15-17(2)3;1-4(2)3-5(6)7;/h17-18H,11-16H2,1-10H3,(H,23,24);4H,3H2,1-2H3,(H2,6,7);/p-1
InChIKeyFIOQFITVXILTER-UHFFFAOYSA-M
MW560.65 g/mol
LogP6.81
Rot. Bonds15

About 3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium

3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium (PubChem CID 169190577) has the molecular formula C27H55N2O4Y- and a molecular weight of 560.65 g/mol. Its IUPAC name is 3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium.

Molecular Properties

Compound Name3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium
PubChem CID169190577
Molecular FormulaC27H55N2O4Y-
Molecular Weight560.65 g/mol
Exact Mass560.32
IUPAC Name3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium
SMILESCC(C)CC([NH-])=O.CCC(C)CC(C)(C)OCC(C)(C)C(=O)NCCC(C)(C)OCC(C)C.[Y]
InChIInChI=1S/C22H45NO3.C5H11NO.Y/c1-11-18(4)14-22(9,10)26-16-20(5,6)19(24)23-13-12-21(7,8)25-15-17(2)3;1-4(2)3-5(6)7;/h17-18H,11-16H2,1-10H3,(H,23,24);4H,3H2,1-2H3,(H2,6,7);/p-1
InChIKeyFIOQFITVXILTER-UHFFFAOYSA-M
XLogP6.81
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[3-(4-acetamido-2-methylbutan-2-yl)oxy-2,2-dimethylpropanoyl]amino]-2-aminohexanoic acid
CID 129035829
2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide
CID 144786289
2-methyl-2-(2-methylbutoxy)pentane
CID 143988658
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
(2S)-5-[[(1R)-1-carboxy-2-(2-methylpropylsulfanyl)ethyl]amino]-2-[[3-[4-(4,4-dimethylpentanoylamino)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoyl]amino]-5-oxopentanoic acid
CID 146263958
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
butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane
CID 177149883
N-butyl-2,2,5-trimethylhexanamide
CID 145422242
2,2,4,4-tetramethyl-5-[[4-[2-methyl-4-(3-methylbutanoylamino)butan-2-yl]oxy-2-sulfanylbutan-2-yl]amino]-5-oxopentanoic acid
CID 134502945
N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide
CID 174323888
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342
dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium
CID 177060891

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium?
The IUPAC name of 3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium (CID 169190577) is 3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium.
What is the SMILES notation for 3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium?
The canonical SMILES for 3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium is CC(C)CC([NH-])=O.CCC(C)CC(C)(C)OCC(C)(C)C(=O)NCCC(C)(C)OCC(C)C.[Y].
What is the InChIKey of 3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium?
The InChIKey is FIOQFITVXILTER-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H45NO3.C5H11NO.Y/c1-11-18(4)14-22(9,10)26-16-20(5,6)19(24)23-13-12-21(7,8)25-15-17(2)3;1-4(2)3-5(6)7;/h17-18H,11-16H2,1-10H3,(H,23,24);4H,3H2,1-2H3,(H2,6,7);/p-1.
What are the key properties of 3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium?
3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium has a molecular weight of 560.65 g/mol, XLogP of 6.81, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylhexan-2-yloxy)-2,2-dimethyl-N-[3-methyl-3-(2-methylpropoxy)butyl]propanamide;3-methylbutanoylazanide;yttrium is sourced from PubChem (CID 169190577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).