2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide

C18H22N2O3 — CID 87033331

IUPAC2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccccc2OC)cc1C
InChIInChI=1S/C18H22N2O3/c1-12-11-14(9-10-16(12)22-3)19-13(2)18(21)20-15-7-5-6-8-17(15)23-4/h5-11,13,19H,1-4H3,(H,20,21)
InChIKeyOLOXZBXACXFFAD-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide

2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide (PubChem CID 87033331) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
PubChem CID87033331
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccccc2OC)cc1C
InChIInChI=1S/C18H22N2O3/c1-12-11-14(9-10-16(12)22-3)19-13(2)18(21)20-15-7-5-6-8-17(15)23-4/h5-11,13,19H,1-4H3,(H,20,21)
InChIKeyOLOXZBXACXFFAD-UHFFFAOYSA-N
XLogP3.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.45
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

2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide
CID 25346916
N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylanilino)propanamide
CID 51178285
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 17485799
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide
CID 51167745
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide (CID 87033331) is 2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide is COc1ccc(NC(C)C(=O)Nc2ccccc2OC)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide?
The InChIKey is OLOXZBXACXFFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-11-14(9-10-16(12)22-3)19-13(2)18(21)20-15-7-5-6-8-17(15)23-4/h5-11,13,19H,1-4H3,(H,20,21).
What are the key properties of 2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide?
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 87033331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).