2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide

C16H24N2O2 — CID 86821523

IUPAC2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide
SMILESCC(=O)NC(C)C(=O)N(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-11(17-12(2)19)15(20)18(6)14-9-7-13(8-10-14)16(3,4)5/h7-11H,1-6H3,(H,17,19)
InChIKeyQVQXNOZZZMYJAA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.47
Rot. Bonds3

About 2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide

2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide (PubChem CID 86821523) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide
PubChem CID86821523
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide
SMILESCC(=O)NC(C)C(=O)N(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-11(17-12(2)19)15(20)18(6)14-9-7-13(8-10-14)16(3,4)5/h7-11H,1-6H3,(H,17,19)
InChIKeyQVQXNOZZZMYJAA-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide
CID 115193365
2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179679
4-[(2-acetamido-3-methylbutanoyl)-methylamino]benzoic acid
CID 104698191
N-(4-fluorophenyl)-N-methyl-2-(methylamino)propanamide
CID 62639733
(2S)-2-acetamido-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide;1-tert-butyl-4-methylbenzene;molecular hydrogen
CID 145175380
(2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide
CID 99829021
methyl 3-(4-tert-butyl-N-methylanilino)-3-oxopropanoate
CID 115174195
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide
CID 136537255
2-(4-tert-butyl-N-methylanilino)-N-methylacetamide
CID 60562398
N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162843
2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 78768765

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide?
The IUPAC name of 2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide (CID 86821523) is 2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide?
The canonical SMILES for 2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide is CC(=O)NC(C)C(=O)N(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide?
The InChIKey is QVQXNOZZZMYJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(17-12(2)19)15(20)18(6)14-9-7-13(8-10-14)16(3,4)5/h7-11H,1-6H3,(H,17,19).
What are the key properties of 2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide?
2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide is sourced from PubChem (CID 86821523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).