3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

C15H22N2O — CID 79353186

IUPAC3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCc1ccc(C(=O)NC2C(C)(C)C2(C)C)cc1N
InChIInChI=1S/C15H22N2O/c1-9-6-7-10(8-11(9)16)12(18)17-13-14(2,3)15(13,4)5/h6-8,13H,16H2,1-5H3,(H,17,18)
InChIKeyLRPWYYDJVILFHY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.74
Rot. Bonds2

About 3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (PubChem CID 79353186) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
PubChem CID79353186
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCc1ccc(C(=O)NC2C(C)(C)C2(C)C)cc1N
InChIInChI=1S/C15H22N2O/c1-9-6-7-10(8-11(9)16)12(18)17-13-14(2,3)15(13,4)5/h6-8,13H,16H2,1-5H3,(H,17,18)
InChIKeyLRPWYYDJVILFHY-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
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

3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
3-amino-N-tert-butyl-4-methylbenzamide
CID 12607979
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79350622
4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79356989
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 113266948
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylbenzamide
CID 16793700
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 102978740
3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
CID 43706938
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The IUPAC name of 3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (CID 79353186) is 3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The canonical SMILES for 3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is Cc1ccc(C(=O)NC2C(C)(C)C2(C)C)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The InChIKey is LRPWYYDJVILFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-9-6-7-10(8-11(9)16)12(18)17-13-14(2,3)15(13,4)5/h6-8,13H,16H2,1-5H3,(H,17,18).
What are the key properties of 3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide has a molecular weight of 246.35 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 3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is sourced from PubChem (CID 79353186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).