N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide

C17H20N2O2 — CID 62099101

IUPACN-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)c(C)cc2N)ccc1C
InChIInChI=1S/C17H20N2O2/c1-10-5-6-13(9-16(10)21-4)17(20)19-15-8-12(3)11(2)7-14(15)18/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyVPXXNNFOSDMWDG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.45
Rot. Bonds3

About N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide

N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide (PubChem CID 62099101) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
PubChem CID62099101
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)c(C)cc2N)ccc1C
InChIInChI=1S/C17H20N2O2/c1-10-5-6-13(9-16(10)21-4)17(20)19-15-8-12(3)11(2)7-14(15)18/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyVPXXNNFOSDMWDG-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 104756886
N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride
CID 172831967
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide
CID 106752394
N-(2-amino-4,5-dimethylphenyl)-4-fluoro-3-methylbenzamide
CID 63209761
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
N-(2-ethylphenyl)-3-methoxy-4-methylbenzamide
CID 16620352
N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide
CID 116813686
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide
CID 35368704

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide (CID 62099101) is N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2cc(C)c(C)cc2N)ccc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide?
The InChIKey is VPXXNNFOSDMWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10-5-6-13(9-16(10)21-4)17(20)19-15-8-12(3)11(2)7-14(15)18/h5-9H,18H2,1-4H3,(H,19,20).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide?
N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 62099101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).