N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide

C18H22N2O2 — CID 109035957

IUPACN-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C18H22N2O2/c1-13-5-4-6-17(14(13)2)20-18(21)11-12-19-15-7-9-16(22-3)10-8-15/h4-10,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyFQVBQOYLZXXWJK-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.75
Rot. Bonds6

About N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide

N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide (PubChem CID 109035957) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide
PubChem CID109035957
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C18H22N2O2/c1-13-5-4-6-17(14(13)2)20-18(21)11-12-19-15-7-9-16(22-3)10-8-15/h4-10,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyFQVBQOYLZXXWJK-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035942
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 54805936
N-(2,4-dimethoxyphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036046
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)oxamide
CID 44995875
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide (CID 109035957) is N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide is COc1ccc(NCCC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide?
The InChIKey is FQVBQOYLZXXWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-5-4-6-17(14(13)2)20-18(21)11-12-19-15-7-9-16(22-3)10-8-15/h4-10,19H,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide?
N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide is sourced from PubChem (CID 109035957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).