5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide

C15H24N2O — CID 102705922

IUPAC5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(C)C(C)(C)C)cc1N
InChIInChI=1S/C15H24N2O/c1-9-7-10(2)13(16)8-12(9)14(18)17-11(3)15(4,5)6/h7-8,11H,16H2,1-6H3,(H,17,18)
InChIKeyUABQTZCOISVBAP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.05
Rot. Bonds2

About 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide

5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide (PubChem CID 102705922) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
PubChem CID102705922
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(C)C(C)(C)C)cc1N
InChIInChI=1S/C15H24N2O/c1-9-7-10(2)13(16)8-12(9)14(18)17-11(3)15(4,5)6/h7-8,11H,16H2,1-6H3,(H,17,18)
InChIKeyUABQTZCOISVBAP-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 104829925
5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide
CID 102705072
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 102705069
5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 106180016
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
CID 102705159
6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543392
N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 17168159
5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 102705874
5-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-2-nitrobenzamide
CID 104829906
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805
4-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113266180

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide (CID 102705922) is 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NC(C)C(C)(C)C)cc1N.
What is the InChIKey of 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide?
The InChIKey is UABQTZCOISVBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-9-7-10(2)13(16)8-12(9)14(18)17-11(3)15(4,5)6/h7-8,11H,16H2,1-6H3,(H,17,18).
What are the key properties of 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide?
5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102705922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).