N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide

C16H18N2O — CID 50880342

IUPACN-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C)cc(N)cc2C)cc1
InChIInChI=1S/C16H18N2O/c1-10-4-6-13(7-5-10)16(19)18-15-11(2)8-14(17)9-12(15)3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyMARDMGORXAQWFT-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.45
Rot. Bonds2

About N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide

N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide (PubChem CID 50880342) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
PubChem CID50880342
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C)cc(N)cc2C)cc1
InChIInChI=1S/C16H18N2O/c1-10-4-6-13(7-5-10)16(19)18-15-11(2)8-14(17)9-12(15)3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyMARDMGORXAQWFT-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.45
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

4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
CID 50880717
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide
CID 107702239
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide
CID 50880400
N-(4-amino-2,6-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 50880688
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 48845732
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
3-amino-5-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 78984369
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide?
The IUPAC name of N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide (CID 50880342) is N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide.
What is the SMILES notation for N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide?
The canonical SMILES for N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2c(C)cc(N)cc2C)cc1.
What is the InChIKey of N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide?
The InChIKey is MARDMGORXAQWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-4-6-13(7-5-10)16(19)18-15-11(2)8-14(17)9-12(15)3/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide?
N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide is sourced from PubChem (CID 50880342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).