(2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate

C19H21NO3 — CID 32993567

IUPAC(2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)Oc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H21NO3/c1-12-9-13(2)19(14(3)10-12)23-18(22)11-16-5-7-17(8-6-16)20-15(4)21/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyHIKAPVPSJAOKKY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.72
Rot. Bonds4

About (2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate

(2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate (PubChem CID 32993567) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate
PubChem CID32993567
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)Oc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H21NO3/c1-12-9-13(2)19(14(3)10-12)23-18(22)11-16-5-7-17(8-6-16)20-15(4)21/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyHIKAPVPSJAOKKY-UHFFFAOYSA-N
XLogP3.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774
(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737
(4-acetamidophenyl) 2-(4-bromophenyl)acetate
CID 26188194
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
(4-propanoylphenyl) 2-(4-acetamidophenyl)acetate
CID 27844669
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate
CID 8611757
N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954449
cyanomethyl 2-(4-acetamidophenyl)acetate
CID 8608142
N-[4-(2-methylprop-2-enyl)phenyl]acetamide
CID 89105480
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
CID 130256848
(2-chloro-4-cyanophenyl) 2-(4-acetamidophenyl)acetate
CID 18288010
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9061147

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate?
The IUPAC name of (2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate (CID 32993567) is (2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for (2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate?
The canonical SMILES for (2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)Oc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of (2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate?
The InChIKey is HIKAPVPSJAOKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-9-13(2)19(14(3)10-12)23-18(22)11-16-5-7-17(8-6-16)20-15(4)21/h5-10H,11H2,1-4H3,(H,20,21).
What are the key properties of (2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate?
(2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate has a molecular weight of 311.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 32993567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).