(3-acetamidophenyl) 2-(2-phenylphenoxy)acetate

C22H19NO4 — CID 7937359

IUPAC(3-acetamidophenyl) 2-(2-phenylphenoxy)acetate
SMILESCC(=O)Nc1cccc(OC(=O)COc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C22H19NO4/c1-16(24)23-18-10-7-11-19(14-18)27-22(25)15-26-21-13-6-5-12-20(21)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,23,24)
InChIKeyRFOKIHDOVIRXFH-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.30
Rot. Bonds6

About (3-acetamidophenyl) 2-(2-phenylphenoxy)acetate

(3-acetamidophenyl) 2-(2-phenylphenoxy)acetate (PubChem CID 7937359) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is (3-acetamidophenyl) 2-(2-phenylphenoxy)acetate.

Molecular Properties

Compound Name(3-acetamidophenyl) 2-(2-phenylphenoxy)acetate
PubChem CID7937359
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name(3-acetamidophenyl) 2-(2-phenylphenoxy)acetate
SMILESCC(=O)Nc1cccc(OC(=O)COc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C22H19NO4/c1-16(24)23-18-10-7-11-19(14-18)27-22(25)15-26-21-13-6-5-12-20(21)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,23,24)
InChIKeyRFOKIHDOVIRXFH-UHFFFAOYSA-N
XLogP4.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate
CID 7959580
naphthalen-2-yl 2-(3-acetamidophenoxy)acetate
CID 18870014
(4-acetylphenyl) 2-(2-phenylphenoxy)acetate
CID 7741121
(2-phenylphenyl) 2-(3-methylphenoxy)acetate
CID 922978
2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate
CID 7921102
N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7894372
1,3-benzodioxol-5-yl 2-(2-phenylphenoxy)acetate
CID 8766460
N-naphthalen-2-yl-2-(2-phenylphenoxy)acetamide
CID 7919445
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 7779991
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
[2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8920045

Frequently Asked Questions

What is the IUPAC name of (3-acetamidophenyl) 2-(2-phenylphenoxy)acetate?
The IUPAC name of (3-acetamidophenyl) 2-(2-phenylphenoxy)acetate (CID 7937359) is (3-acetamidophenyl) 2-(2-phenylphenoxy)acetate.
What is the SMILES notation for (3-acetamidophenyl) 2-(2-phenylphenoxy)acetate?
The canonical SMILES for (3-acetamidophenyl) 2-(2-phenylphenoxy)acetate is CC(=O)Nc1cccc(OC(=O)COc2ccccc2-c2ccccc2)c1.
What is the InChIKey of (3-acetamidophenyl) 2-(2-phenylphenoxy)acetate?
The InChIKey is RFOKIHDOVIRXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-16(24)23-18-10-7-11-19(14-18)27-22(25)15-26-21-13-6-5-12-20(21)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of (3-acetamidophenyl) 2-(2-phenylphenoxy)acetate?
(3-acetamidophenyl) 2-(2-phenylphenoxy)acetate has a molecular weight of 361.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamidophenyl) 2-(2-phenylphenoxy)acetate is sourced from PubChem (CID 7937359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).