N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane

C16H35NO2 — CID 144742441

IUPACN-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
SMILESCCC.CCCC(C)(C)OCCC(C)(C)NC(C)=O
InChIInChI=1S/C13H27NO2.C3H8/c1-7-8-13(5,6)16-10-9-12(3,4)14-11(2)15;1-3-2/h7-10H2,1-6H3,(H,14,15);3H2,1-2H3
InChIKeyYHKQDHLIDABKJJ-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.30
Rot. Bonds7

About N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane

N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane (PubChem CID 144742441) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane.

Molecular Properties

Compound NameN-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
PubChem CID144742441
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC NameN-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
SMILESCCC.CCCC(C)(C)OCCC(C)(C)NC(C)=O
InChIInChI=1S/C13H27NO2.C3H8/c1-7-8-13(5,6)16-10-9-12(3,4)14-11(2)15;1-3-2/h7-10H2,1-6H3,(H,14,15);3H2,1-2H3
InChIKeyYHKQDHLIDABKJJ-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane 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

N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
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-[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-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide
CID 162684940
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane
CID 162756506
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide
CID 174254450
N-(2,4,4-trimethylheptan-2-yl)acetamide
CID 170293406
N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide
CID 143784438

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane?
The IUPAC name of N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane (CID 144742441) is N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane.
What is the SMILES notation for N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane?
The canonical SMILES for N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane is CCC.CCCC(C)(C)OCCC(C)(C)NC(C)=O.
What is the InChIKey of N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane?
The InChIKey is YHKQDHLIDABKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.C3H8/c1-7-8-13(5,6)16-10-9-12(3,4)14-11(2)15;1-3-2/h7-10H2,1-6H3,(H,14,15);3H2,1-2H3.
What are the key properties of N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane?
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane has a molecular weight of 273.46 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane is sourced from PubChem (CID 144742441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).