2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide

C18H22N2O — CID 62059196

IUPAC2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H22N2O/c1-12-5-10-16(19)15(11-12)17(21)20-14-8-6-13(7-9-14)18(2,3)4/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeySMZXXQISGOYLDG-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.13
Rot. Bonds2

About 2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide

2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide (PubChem CID 62059196) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
PubChem CID62059196
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H22N2O/c1-12-5-10-16(19)15(11-12)17(21)20-14-8-6-13(7-9-14)18(2,3)4/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeySMZXXQISGOYLDG-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

N-(4-tert-butylphenyl)-2,4-dimethylbenzamide
CID 953234
N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide
CID 70682694
2-amino-5-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 62510532
N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide
CID 108529851
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide
CID 62510394
2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214
2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide
CID 62059841
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
CID 65307677
2-amino-N-(2,6-dimethylphenyl)-5-methylbenzamide
CID 55083036
4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide
CID 28748853

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide (CID 62059196) is 2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide?
The InChIKey is SMZXXQISGOYLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-5-10-16(19)15(11-12)17(21)20-14-8-6-13(7-9-14)18(2,3)4/h5-11H,19H2,1-4H3,(H,20,21).
What are the key properties of 2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide?
2-amino-N-(4-tert-butylphenyl)-5-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-(4-tert-butylphenyl)-5-methylbenzamide is sourced from PubChem (CID 62059196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).