(4-propanoylphenyl) 2-(4-acetamidophenyl)acetate

C19H19NO4 — CID 27844669

IUPAC(4-propanoylphenyl) 2-(4-acetamidophenyl)acetate
SMILESCCC(=O)c1ccc(OC(=O)Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-3-18(22)15-6-10-17(11-7-15)24-19(23)12-14-4-8-16(9-5-14)20-13(2)21/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyGHEKOZBDLJEKFS-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.39
Rot. Bonds6

About (4-propanoylphenyl) 2-(4-acetamidophenyl)acetate

(4-propanoylphenyl) 2-(4-acetamidophenyl)acetate (PubChem CID 27844669) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (4-propanoylphenyl) 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name(4-propanoylphenyl) 2-(4-acetamidophenyl)acetate
PubChem CID27844669
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(4-propanoylphenyl) 2-(4-acetamidophenyl)acetate
SMILESCCC(=O)c1ccc(OC(=O)Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-3-18(22)15-6-10-17(11-7-15)24-19(23)12-14-4-8-16(9-5-14)20-13(2)21/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyGHEKOZBDLJEKFS-UHFFFAOYSA-N
XLogP3.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.39
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

(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737
(4-acetamidophenyl) 2-(4-bromophenyl)acetate
CID 26188194
bis(4-acetamidophenyl) propanedioate
CID 58435595
(4-propanoylphenyl) propanoate
CID 19170728
N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide
CID 7788104
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
[4-[[4-[[4-[(4-acetyloxybenzoyl)amino]phenyl]methyl]phenyl]carbamoyl]phenyl] acetate
CID 10324446
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate
CID 35545565
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610737
(2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate
CID 32993567
2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide
CID 39949041

Frequently Asked Questions

What is the IUPAC name of (4-propanoylphenyl) 2-(4-acetamidophenyl)acetate?
The IUPAC name of (4-propanoylphenyl) 2-(4-acetamidophenyl)acetate (CID 27844669) is (4-propanoylphenyl) 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for (4-propanoylphenyl) 2-(4-acetamidophenyl)acetate?
The canonical SMILES for (4-propanoylphenyl) 2-(4-acetamidophenyl)acetate is CCC(=O)c1ccc(OC(=O)Cc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of (4-propanoylphenyl) 2-(4-acetamidophenyl)acetate?
The InChIKey is GHEKOZBDLJEKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-18(22)15-6-10-17(11-7-15)24-19(23)12-14-4-8-16(9-5-14)20-13(2)21/h4-11H,3,12H2,1-2H3,(H,20,21).
What are the key properties of (4-propanoylphenyl) 2-(4-acetamidophenyl)acetate?
(4-propanoylphenyl) 2-(4-acetamidophenyl)acetate has a molecular weight of 325.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propanoylphenyl) 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 27844669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).