ethyl 4-(4-acetamidophenyl)benzoate

C17H17NO3 — CID 134688952

IUPACethyl 4-(4-acetamidophenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-3-21-17(20)15-6-4-13(5-7-15)14-8-10-16(11-9-14)18-12(2)19/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyKLUPEIFGVJLRNQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.49
Rot. Bonds4

About ethyl 4-(4-acetamidophenyl)benzoate

ethyl 4-(4-acetamidophenyl)benzoate (PubChem CID 134688952) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 4-(4-acetamidophenyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-acetamidophenyl)benzoate
PubChem CID134688952
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl 4-(4-acetamidophenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-3-21-17(20)15-6-4-13(5-7-15)14-8-10-16(11-9-14)18-12(2)19/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyKLUPEIFGVJLRNQ-UHFFFAOYSA-N
XLogP3.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(4-acetamidophenyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate
CID 108910149
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate
CID 109009936
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
ethyl 4-(4-sulfanylphenyl)benzoate
CID 70674807
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
ethyl 4-[[3-(4-acetylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969766
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4-(4-acetyloxyphenyl)benzoate
CID 122206053

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetamidophenyl)benzoate?
The IUPAC name of ethyl 4-(4-acetamidophenyl)benzoate (CID 134688952) is ethyl 4-(4-acetamidophenyl)benzoate.
What is the SMILES notation for ethyl 4-(4-acetamidophenyl)benzoate?
The canonical SMILES for ethyl 4-(4-acetamidophenyl)benzoate is CCOC(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of ethyl 4-(4-acetamidophenyl)benzoate?
The InChIKey is KLUPEIFGVJLRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-21-17(20)15-6-4-13(5-7-15)14-8-10-16(11-9-14)18-12(2)19/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 4-(4-acetamidophenyl)benzoate?
ethyl 4-(4-acetamidophenyl)benzoate has a molecular weight of 283.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-acetamidophenyl)benzoate is sourced from PubChem (CID 134688952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).