2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide

C19H20N2O4 — CID 35365218

IUPAC2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)COc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-13(22)15-4-3-5-17(11-15)25-12-19(24)21-16-8-6-14(7-9-16)10-18(23)20-2/h3-9,11H,10,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKQRQHYWBYCCEIT-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.20
Rot. Bonds7

About 2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide

2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide (PubChem CID 35365218) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
PubChem CID35365218
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)COc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-13(22)15-4-3-5-17(11-15)25-12-19(24)21-16-8-6-14(7-9-16)10-18(23)20-2/h3-9,11H,10,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKQRQHYWBYCCEIT-UHFFFAOYSA-N
XLogP2.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]acetamide
CID 35364913
2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide
CID 55647563
2-(3-acetylphenoxy)-N-[3-(methoxymethyl)phenyl]acetamide
CID 33099560
2-(3-acetylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710573
2-(3-acetylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2639907
2-[4-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364935
[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526262
N-[3-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187397
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
CID 7903100

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide (CID 35365218) is 2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NC(=O)COc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of 2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide?
The InChIKey is KQRQHYWBYCCEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(22)15-4-3-5-17(11-15)25-12-19(24)21-16-8-6-14(7-9-16)10-18(23)20-2/h3-9,11H,10,12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide?
2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide has a molecular weight of 340.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 35365218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).