2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide

C14H22N2O — CID 104829925

IUPAC2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)C(C)(C)C)c(N)c1
InChIInChI=1S/C14H22N2O/c1-9-6-7-11(12(15)8-9)13(17)16-10(2)14(3,4)5/h6-8,10H,15H2,1-5H3,(H,16,17)
InChIKeyXIWXKHQSQLEQSY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.74
Rot. Bonds2

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

2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide (PubChem CID 104829925) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide
PubChem CID104829925
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)C(C)(C)C)c(N)c1
InChIInChI=1S/C14H22N2O/c1-9-6-7-11(12(15)8-9)13(17)16-10(2)14(3,4)5/h6-8,10H,15H2,1-5H3,(H,16,17)
InChIKeyXIWXKHQSQLEQSY-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.74
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

5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 102705922
4-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113266180
6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543392
2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828
3-amino-N-(3,3-dimethylbutan-2-yl)-2-nitrobenzamide
CID 104829926
2-amino-N-ethenyl-4-methylbenzamide
CID 143815920
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 17168159
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 63110602
N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
CID 2970515
[[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten
CID 166038845
2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 81355507

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide?
The IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide (CID 104829925) is 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide?
The canonical SMILES for 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC(C)C(C)(C)C)c(N)c1.
What is the InChIKey of 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide?
The InChIKey is XIWXKHQSQLEQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-6-7-11(12(15)8-9)13(17)16-10(2)14(3,4)5/h6-8,10H,15H2,1-5H3,(H,16,17).
What are the key properties of 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide?
2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 104829925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).