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

C17H20N2O2 — CID 104756886

IUPACN-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(N)c(C)cc2C)ccc1C
InChIInChI=1S/C17H20N2O2/c1-10-5-6-13(8-16(10)21-4)17(20)19-15-9-14(18)11(2)7-12(15)3/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyPXPALTMTBJBIRE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.45
Rot. Bonds3

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

N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide (PubChem CID 104756886) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide
PubChem CID104756886
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(N)c(C)cc2C)ccc1C
InChIInChI=1S/C17H20N2O2/c1-10-5-6-13(8-16(10)21-4)17(20)19-15-9-14(18)11(2)7-12(15)3/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyPXPALTMTBJBIRE-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'}

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Related Compounds

N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 62099101
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
N-(5-amino-2,4-dimethylphenyl)-4-hydroxybenzamide
CID 104757000
N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide
CID 116813686
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybenzamide
CID 104782349
4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
CID 104782299
N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide
CID 104756975
3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
CID 46489735

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide (CID 104756886) is N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2cc(N)c(C)cc2C)ccc1C.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide?
The InChIKey is PXPALTMTBJBIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10-5-6-13(8-16(10)21-4)17(20)19-15-9-14(18)11(2)7-12(15)3/h5-9H,18H2,1-4H3,(H,19,20).
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide?
N-(5-amino-2,4-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-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 104756886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).