3-amino-N-tert-butyl-4-methylbenzamide

C12H18N2O — CID 12607979

IUPAC3-amino-N-tert-butyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)C)cc1N
InChIInChI=1S/C12H18N2O/c1-8-5-6-9(7-10(8)13)11(15)14-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeyJOJSRQGVPJPJII-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.11
Rot. Bonds1

About 3-amino-N-tert-butyl-4-methylbenzamide

3-amino-N-tert-butyl-4-methylbenzamide (PubChem CID 12607979) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-N-tert-butyl-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-tert-butyl-4-methylbenzamide
PubChem CID12607979
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-N-tert-butyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)C)cc1N
InChIInChI=1S/C12H18N2O/c1-8-5-6-9(7-10(8)13)11(15)14-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeyJOJSRQGVPJPJII-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-tert-butyl-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
CID 63999081
3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724682
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
CID 54979034
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
tert-butyl N-[3-[(3-amino-4-methylbenzoyl)amino]propyl]carbamate
CID 104932578
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 60987768
(3-amino-4-methylphenyl) N-tert-butylcarbamate
CID 68878688
3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79353186
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-amino-4-methylbenzoate
CID 9298171
methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butyl-4-methylbenzamide?
The IUPAC name of 3-amino-N-tert-butyl-4-methylbenzamide (CID 12607979) is 3-amino-N-tert-butyl-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-tert-butyl-4-methylbenzamide?
The canonical SMILES for 3-amino-N-tert-butyl-4-methylbenzamide is Cc1ccc(C(=O)NC(C)(C)C)cc1N.
What is the InChIKey of 3-amino-N-tert-butyl-4-methylbenzamide?
The InChIKey is JOJSRQGVPJPJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-5-6-9(7-10(8)13)11(15)14-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15).
What are the key properties of 3-amino-N-tert-butyl-4-methylbenzamide?
3-amino-N-tert-butyl-4-methylbenzamide has a molecular weight of 206.29 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-tert-butyl-4-methylbenzamide is sourced from PubChem (CID 12607979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).