N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide

C14H21NO — CID 977845

IUPACN-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide
SMILESCCC(C)(C)NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-5-14(3,4)15-13(16)10-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3,(H,15,16)
InChIKeyOTKVNJDFYYBCSS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.84
Rot. Bonds4

About N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide

N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide (PubChem CID 977845) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide
PubChem CID977845
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide
SMILESCCC(C)(C)NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-5-14(3,4)15-13(16)10-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3,(H,15,16)
InChIKeyOTKVNJDFYYBCSS-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide (CID 977845) is N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide is CCC(C)(C)NC(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is OTKVNJDFYYBCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-14(3,4)15-13(16)10-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3,(H,15,16).
What are the key properties of N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide?
N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 219.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 977845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).