(4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate

C23H21NO5 — CID 23012077

IUPAC(4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C23H21NO5/c1-17(25)24-18-11-13-20(14-12-18)29-23(26)21-9-5-6-10-22(21)28-16-15-27-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyZFSAOAFHVHEPJD-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.32
Rot. Bonds8

About (4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate

(4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate (PubChem CID 23012077) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is (4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate
PubChem CID23012077
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name(4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C23H21NO5/c1-17(25)24-18-11-13-20(14-12-18)29-23(26)21-9-5-6-10-22(21)28-16-15-27-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyZFSAOAFHVHEPJD-UHFFFAOYSA-N
XLogP4.32
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-acetamidophenyl) 2-phenoxybenzoate
CID 26188165
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954528
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
CID 8921710
(4-butan-2-ylphenyl) 2-(2-phenoxyethoxy)benzoate
CID 23012070
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4954400
(4-acetylphenyl) 2-propoxybenzoate
CID 23011739
N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide
CID 39574397
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
N-[4-(3-phenoxypropylamino)phenyl]acetamide
CID 60678376

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate?
The IUPAC name of (4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate (CID 23012077) is (4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate.
What is the SMILES notation for (4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate?
The canonical SMILES for (4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate is CC(=O)Nc1ccc(OC(=O)c2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of (4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate?
The InChIKey is ZFSAOAFHVHEPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-17(25)24-18-11-13-20(14-12-18)29-23(26)21-9-5-6-10-22(21)28-16-15-27-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,24,25).
What are the key properties of (4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate?
(4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate has a molecular weight of 391.42 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate is sourced from PubChem (CID 23012077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).