N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide

C21H20N2O3 — CID 54777087

IUPACN-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
SMILESCC(=O)Nc1cc(NC(=O)COc2ccc3ccccc3c2)ccc1C
InChIInChI=1S/C21H20N2O3/c1-14-7-9-18(12-20(14)22-15(2)24)23-21(25)13-26-19-10-8-16-5-3-4-6-17(16)11-19/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWQPJIIJRWDSSKU-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.12
Rot. Bonds5

About N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide

N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide (PubChem CID 54777087) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
PubChem CID54777087
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
SMILESCC(=O)Nc1cc(NC(=O)COc2ccc3ccccc3c2)ccc1C
InChIInChI=1S/C21H20N2O3/c1-14-7-9-18(12-20(14)22-15(2)24)23-21(25)13-26-19-10-8-16-5-3-4-6-17(16)11-19/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWQPJIIJRWDSSKU-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 54777061
N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54777100
N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54777114
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 47067394
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
N-[4-(acetylcarbamothioylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 5229884
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 2114483
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
N-[4-(carbamoylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 33152788
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 24648345

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide (CID 54777087) is N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide is CC(=O)Nc1cc(NC(=O)COc2ccc3ccccc3c2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is WQPJIIJRWDSSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-7-9-18(12-20(14)22-15(2)24)23-21(25)13-26-19-10-8-16-5-3-4-6-17(16)11-19/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide?
N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 348.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 54777087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).