N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide

C21H19NO3 — CID 23904816

IUPACN-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C21H19NO3/c1-16-10-12-17(13-11-16)22-21(23)15-24-19-8-5-9-20(14-19)25-18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,22,23)
InChIKeyXMDSOVDMWHIBDH-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.80
Rot. Bonds6

About N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide

N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide (PubChem CID 23904816) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
PubChem CID23904816
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C21H19NO3/c1-16-10-12-17(13-11-16)22-21(23)15-24-19-8-5-9-20(14-19)25-18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,22,23)
InChIKeyXMDSOVDMWHIBDH-UHFFFAOYSA-N
XLogP4.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
2-(3-ethoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 112977837
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
N-(2-methoxy-5-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 2108595
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 46741579
2-(2-chloro-5-methylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 7917293
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide (CID 23904816) is N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide is Cc1ccc(NC(=O)COc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide?
The InChIKey is XMDSOVDMWHIBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-16-10-12-17(13-11-16)22-21(23)15-24-19-8-5-9-20(14-19)25-18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,22,23).
What are the key properties of N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide?
N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide has a molecular weight of 333.39 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide is sourced from PubChem (CID 23904816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).