N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide

C22H22N2O3 — CID 109039635

IUPACN-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-19-11-9-18(10-12-19)24-22(25)15-16-23-17-7-13-21(14-8-17)27-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyFAOGNQKLKSIOLF-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.93
Rot. Bonds8

About N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide

N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide (PubChem CID 109039635) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
PubChem CID109039635
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-19-11-9-18(10-12-19)24-22(25)15-16-23-17-7-13-21(14-8-17)27-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyFAOGNQKLKSIOLF-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

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Related Compounds

3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
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 N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide (CID 109039635) is N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide is COc1ccc(NC(=O)CCNc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide?
The InChIKey is FAOGNQKLKSIOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-19-11-9-18(10-12-19)24-22(25)15-16-23-17-7-13-21(14-8-17)27-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3,(H,24,25).
What are the key properties of N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide?
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)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 N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide is sourced from PubChem (CID 109039635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).