2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide

C19H24N2O3 — CID 51168758

IUPAC2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide
SMILESCOc1cc(C)c(NC(C)C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-12-8-6-7-9-15(12)21-19(22)14(3)20-16-11-18(24-5)17(23-4)10-13(16)2/h6-11,14,20H,1-5H3,(H,21,22)
InChIKeyNIMBGBOPTYVMKW-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.76
Rot. Bonds6

About 2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide

2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide (PubChem CID 51168758) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide
PubChem CID51168758
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide
SMILESCOc1cc(C)c(NC(C)C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-12-8-6-7-9-15(12)21-19(22)14(3)20-16-11-18(24-5)17(23-4)10-13(16)2/h6-11,14,20H,1-5H3,(H,21,22)
InChIKeyNIMBGBOPTYVMKW-UHFFFAOYSA-N
XLogP3.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
CID 30376996
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
2-(4,5-dimethoxy-2-methylanilino)propanoic acid
CID 66173318
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide
CID 9044402
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 47005946
2-methoxy-N-[1-(2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46745823
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide (CID 51168758) is 2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide is COc1cc(C)c(NC(C)C(=O)Nc2ccccc2C)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is NIMBGBOPTYVMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-8-6-7-9-15(12)21-19(22)14(3)20-16-11-18(24-5)17(23-4)10-13(16)2/h6-11,14,20H,1-5H3,(H,21,22).
What are the key properties of 2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide?
2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 328.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 51168758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).