3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide

C15H24N2O — CID 65264581

IUPAC3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide
SMILESCc1cccc(C)c1NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C15H24N2O/c1-10-8-7-9-11(2)12(10)17-13(18)14(3,4)15(5,6)16/h7-9H,16H2,1-6H3,(H,17,18)
InChIKeyWMJBISHQMWKZOC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.01
Rot. Bonds3

About 3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide

3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide (PubChem CID 65264581) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide
PubChem CID65264581
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide
SMILESCc1cccc(C)c1NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C15H24N2O/c1-10-8-7-9-11(2)12(10)17-13(18)14(3,4)15(5,6)16/h7-9H,16H2,1-6H3,(H,17,18)
InChIKeyWMJBISHQMWKZOC-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-bromo-6-fluorophenyl)-2,2,3-trimethylbutanamide
CID 107599820
N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967996
N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide
CID 5108045
3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide
CID 114257208
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide
CID 65264588
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739
3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82814205
3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide
CID 65264488
N-(2,6-dimethylphenyl)-3,3-dimethyl-2-(methylamino)butanamide
CID 13320882
N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968103
N-(2,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropanamide;hydrochloride
CID 174853192

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide (CID 65264581) is 3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide is Cc1cccc(C)c1NC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide?
The InChIKey is WMJBISHQMWKZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-8-7-9-11(2)12(10)17-13(18)14(3,4)15(5,6)16/h7-9H,16H2,1-6H3,(H,17,18).
What are the key properties of 3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide?
3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65264581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).