2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide

C23H22N2O5 — CID 71095079

IUPAC2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(OCC(=O)Nc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C23H22N2O5/c1-16-2-4-17(5-3-16)24-22(27)14-29-20-10-12-21(13-11-20)30-15-23(28)25-18-6-8-19(26)9-7-18/h2-13,26H,14-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyUUHOREXGLJONOV-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.74
Rot. Bonds8

About 2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide

2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 71095079) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID71095079
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(OCC(=O)Nc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C23H22N2O5/c1-16-2-4-17(5-3-16)24-22(27)14-29-20-10-12-21(13-11-20)30-15-23(28)25-18-6-8-19(26)9-7-18/h2-13,26H,14-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyUUHOREXGLJONOV-UHFFFAOYSA-N
XLogP3.74
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112980491
propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 2992862

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide (CID 71095079) is 2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(OCC(=O)Nc3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is UUHOREXGLJONOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-16-2-4-17(5-3-16)24-22(27)14-29-20-10-12-21(13-11-20)30-15-23(28)25-18-6-8-19(26)9-7-18/h2-13,26H,14-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide?
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 406.44 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 71095079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).