3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide

C22H22N2O3 — CID 109039699

IUPAC3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-19-11-7-17(8-12-19)23-16-15-22(25)24-18-9-13-21(14-10-18)27-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyGGDPLHQGNWZMHF-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.93
Rot. Bonds8

About 3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide

3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide (PubChem CID 109039699) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
PubChem CID109039699
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-19-11-7-17(8-12-19)23-16-15-22(25)24-18-9-13-21(14-10-18)27-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyGGDPLHQGNWZMHF-UHFFFAOYSA-N
XLogP4.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.93
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

N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109040495
3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide
CID 109025969
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
methyl 3-[3-(4-phenoxyanilino)propanoylamino]benzoate
CID 109041391
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide
CID 109038068
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide
CID 109038759
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide (CID 109039699) is 3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide is COc1ccc(NCCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is GGDPLHQGNWZMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-19-11-7-17(8-12-19)23-16-15-22(25)24-18-9-13-21(14-10-18)27-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3,(H,24,25).
What are the key properties of 3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide?
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 362.43 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 109039699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).