N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane

C23H51NO — CID 54376084

IUPACN-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane
SMILESCC.CC(C)(C)C(C)(C)C.CCC(C)(C)N(CC(C)C(C)C)C(C)=O
InChIInChI=1S/C13H27NO.C8H18.C2H6/c1-8-13(6,7)14(12(5)15)9-11(4)10(2)3;1-7(2,3)8(4,5)6;1-2/h10-11H,8-9H2,1-7H3;1-6H3;1-2H3
InChIKeyUWOPGMDDSLZIFT-UHFFFAOYSA-N
MW357.67 g/mol
LogP7.42
Rot. Bonds5

About N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane

N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane (PubChem CID 54376084) has the molecular formula C23H51NO and a molecular weight of 357.67 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane
PubChem CID54376084
Molecular FormulaC23H51NO
Molecular Weight357.67 g/mol
Exact Mass357.40
IUPAC NameN-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane
SMILESCC.CC(C)(C)C(C)(C)C.CCC(C)(C)N(CC(C)C(C)C)C(C)=O
InChIInChI=1S/C13H27NO.C8H18.C2H6/c1-8-13(6,7)14(12(5)15)9-11(4)10(2)3;1-7(2,3)8(4,5)6;1-2/h10-11H,8-9H2,1-7H3;1-6H3;1-2H3
InChIKeyUWOPGMDDSLZIFT-UHFFFAOYSA-N
XLogP7.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.67
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane?
The IUPAC name of N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane (CID 54376084) is N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane.
What is the SMILES notation for N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane?
The canonical SMILES for N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane is CC.CC(C)(C)C(C)(C)C.CCC(C)(C)N(CC(C)C(C)C)C(C)=O.
What is the InChIKey of N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane?
The InChIKey is UWOPGMDDSLZIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.C8H18.C2H6/c1-8-13(6,7)14(12(5)15)9-11(4)10(2)3;1-7(2,3)8(4,5)6;1-2/h10-11H,8-9H2,1-7H3;1-6H3;1-2H3.
What are the key properties of N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane?
N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane has a molecular weight of 357.67 g/mol, XLogP of 7.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-N-(2-methylbutan-2-yl)acetamide;ethane;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 54376084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).