2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide

C18H22N2O — CID 62056774

IUPAC2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1N
InChIInChI=1S/C18H22N2O/c1-12-8-7-9-13(16(12)19)17(21)20-15-11-6-5-10-14(15)18(2,3)4/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyMFKSLCPHNAKZBA-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.13
Rot. Bonds2

About 2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide

2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide (PubChem CID 62056774) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide
PubChem CID62056774
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1N
InChIInChI=1S/C18H22N2O/c1-12-8-7-9-13(16(12)19)17(21)20-15-11-6-5-10-14(15)18(2,3)4/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyMFKSLCPHNAKZBA-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.13
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-(2-iodophenyl)-3-methylbenzamide
CID 28977715
2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 61111804
2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
CID 61074628
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
CID 61104682
2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbenzamide
CID 102903119
N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515358
2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725699
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
CID 43805804
2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 103857081
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide
CID 107723124

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide (CID 62056774) is 2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1N.
What is the InChIKey of 2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide?
The InChIKey is MFKSLCPHNAKZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-8-7-9-13(16(12)19)17(21)20-15-11-6-5-10-14(15)18(2,3)4/h5-11H,19H2,1-4H3,(H,20,21).
What are the key properties of 2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide?
2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide is sourced from PubChem (CID 62056774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).