N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide

C18H22N2O — CID 103144421

IUPACN-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(C)c(N)cc2C)c(C)c1
InChIInChI=1S/C18H22N2O/c1-10-6-13(4)17(14(5)7-10)18(21)20-16-9-11(2)15(19)8-12(16)3/h6-9H,19H2,1-5H3,(H,20,21)
InChIKeyXIOZGRIECBAEAT-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.06
Rot. Bonds2

About N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide

N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide (PubChem CID 103144421) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide
PubChem CID103144421
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(C)c(N)cc2C)c(C)c1
InChIInChI=1S/C18H22N2O/c1-10-6-13(4)17(14(5)7-10)18(21)20-16-9-11(2)15(19)8-12(16)3/h6-9H,19H2,1-5H3,(H,20,21)
InChIKeyXIOZGRIECBAEAT-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
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-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide
CID 29008296
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 103144443
N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide
CID 43549842
N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide
CID 63257510
N-(4-amino-2,5-dimethylphenyl)-2-bromo-4-methylbenzamide
CID 103144537
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
N-(5-amino-4-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 61293151
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
CID 62103226
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
CID 103144641
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide (CID 103144421) is N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2cc(C)c(N)cc2C)c(C)c1.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide?
The InChIKey is XIOZGRIECBAEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-10-6-13(4)17(14(5)7-10)18(21)20-16-9-11(2)15(19)8-12(16)3/h6-9H,19H2,1-5H3,(H,20,21).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide?
N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 103144421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).