3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide

C23H24N2O4 — CID 109040495

IUPAC3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C23H24N2O4/c1-27-20-12-13-21(22(16-20)28-2)24-15-14-23(26)25-17-8-10-19(11-9-17)29-18-6-4-3-5-7-18/h3-13,16,24H,14-15H2,1-2H3,(H,25,26)
InChIKeyRSEXETWDIHXUAI-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.94
Rot. Bonds9

About 3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide

3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide (PubChem CID 109040495) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
PubChem CID109040495
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C23H24N2O4/c1-27-20-12-13-21(22(16-20)28-2)24-15-14-23(26)25-17-8-10-19(11-9-17)29-18-6-4-3-5-7-18/h3-13,16,24H,14-15H2,1-2H3,(H,25,26)
InChIKeyRSEXETWDIHXUAI-UHFFFAOYSA-N
XLogP4.94
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741
N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040526
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 47877564
N-(2,4-dimethoxyphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036046
3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide
CID 109025969
3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109038046
N-(2-bromo-4-methylphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040499

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide (CID 109040495) is 3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide is COc1ccc(NCCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is RSEXETWDIHXUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-27-20-12-13-21(22(16-20)28-2)24-15-14-23(26)25-17-8-10-19(11-9-17)29-18-6-4-3-5-7-18/h3-13,16,24H,14-15H2,1-2H3,(H,25,26).
What are the key properties of 3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide?
3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 109040495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).