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

C18H22N2O2 — CID 8893151

IUPACN-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1NCCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C18H22N2O2/c1-13-7-6-9-15(14(13)2)20-18(21)11-12-19-16-8-4-5-10-17(16)22-3/h4-10,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyBJGIJBMLCCIDFH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.75
Rot. Bonds6

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

N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide (PubChem CID 8893151) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
PubChem CID8893151
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1NCCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C18H22N2O2/c1-13-7-6-9-15(14(13)2)20-18(21)11-12-19-16-8-4-5-10-17(16)22-3/h4-10,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyBJGIJBMLCCIDFH-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

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036046
N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide
CID 109035957
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
3-(2-ethyl-6-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 109036653
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109036006
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
3-(2,6-diethylanilino)-N-(2-methoxyphenyl)propanamide
CID 109037115
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099909

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide (CID 8893151) is N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide is COc1ccccc1NCCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide?
The InChIKey is BJGIJBMLCCIDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-7-6-9-15(14(13)2)20-18(21)11-12-19-16-8-4-5-10-17(16)22-3/h4-10,19H,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide?
N-(2,3-dimethylphenyl)-3-(2-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-(2-methoxyanilino)propanamide is sourced from PubChem (CID 8893151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).