2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide

C15H23NO — CID 86618512

IUPAC2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide
SMILESCCc1cccc(C)c1C(C(N)=O)C(C)(C)C
InChIInChI=1S/C15H23NO/c1-6-11-9-7-8-10(2)12(11)13(14(16)17)15(3,4)5/h7-9,13H,6H2,1-5H3,(H2,16,17)
InChIKeyDQPSWGQDSDFKPG-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.17
Rot. Bonds3

About 2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide

2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide (PubChem CID 86618512) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide
PubChem CID86618512
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide
SMILESCCc1cccc(C)c1C(C(N)=O)C(C)(C)C
InChIInChI=1S/C15H23NO/c1-6-11-9-7-8-10(2)12(11)13(14(16)17)15(3,4)5/h7-9,13H,6H2,1-5H3,(H2,16,17)
InChIKeyDQPSWGQDSDFKPG-UHFFFAOYSA-N
XLogP3.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70479437
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2-(2,6-dimethylanilino)-3-ethylbenzamide
CID 21484509
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82814205
3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol
CID 158712110
2-(2-ethyl-6-methylphenyl)ethanethioamide
CID 149269494
4-amino-1-(2,6-dimethylphenyl)-5,5-dimethylhexan-2-one
CID 116608453
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
[2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol
CID 130665591
(2-ethyl-6-iodophenyl)methanediol
CID 156529935
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide (CID 86618512) is 2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide is CCc1cccc(C)c1C(C(N)=O)C(C)(C)C.
What is the InChIKey of 2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide?
The InChIKey is DQPSWGQDSDFKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-6-11-9-7-8-10(2)12(11)13(14(16)17)15(3,4)5/h7-9,13H,6H2,1-5H3,(H2,16,17).
What are the key properties of 2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide?
2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide has a molecular weight of 233.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 86618512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).