(3,4-dimethylphenyl) 4-acetamidobenzoate

C17H17NO3 — CID 4010192

IUPAC(3,4-dimethylphenyl) 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H17NO3/c1-11-4-9-16(10-12(11)2)21-17(20)14-5-7-15(8-6-14)18-13(3)19/h4-10H,1-3H3,(H,18,19)
InChIKeyMHWYNFBRTUSCFQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.48
Rot. Bonds3

About (3,4-dimethylphenyl) 4-acetamidobenzoate

(3,4-dimethylphenyl) 4-acetamidobenzoate (PubChem CID 4010192) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3,4-dimethylphenyl) 4-acetamidobenzoate.

Molecular Properties

Compound Name(3,4-dimethylphenyl) 4-acetamidobenzoate
PubChem CID4010192
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(3,4-dimethylphenyl) 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H17NO3/c1-11-4-9-16(10-12(11)2)21-17(20)14-5-7-15(8-6-14)18-13(3)19/h4-10H,1-3H3,(H,18,19)
InChIKeyMHWYNFBRTUSCFQ-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3,4-dimethylphenyl) 4-acetamidobenzoate 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

(4-acetamidophenyl) 4-iodobenzoate
CID 51152655
(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836
(4-methoxycarbonylphenyl) 4-acetamidobenzoate
CID 7761360
(3,4-dimethylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 761866
(3,4-dimethylphenyl) 4-chlorobenzoate
CID 723826
(3,4-dimethylphenyl) 4-chlorobenzoate;methane
CID 159732966
(4-acetamidophenyl) 4-chlorobenzoate
CID 586902
methyl 4-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 53266248
(3,4-dimethylphenyl) 4-(trifluoromethyl)benzoate
CID 91726333
(3,4-dimethylphenyl) 4-methylsulfonylbenzoate
CID 2671374
bis(3,4-dimethylphenyl) benzene-1,3-dicarboxylate
CID 3126003
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 957246

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl) 4-acetamidobenzoate?
The IUPAC name of (3,4-dimethylphenyl) 4-acetamidobenzoate (CID 4010192) is (3,4-dimethylphenyl) 4-acetamidobenzoate.
What is the SMILES notation for (3,4-dimethylphenyl) 4-acetamidobenzoate?
The canonical SMILES for (3,4-dimethylphenyl) 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)Oc2ccc(C)c(C)c2)cc1.
What is the InChIKey of (3,4-dimethylphenyl) 4-acetamidobenzoate?
The InChIKey is MHWYNFBRTUSCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-4-9-16(10-12(11)2)21-17(20)14-5-7-15(8-6-14)18-13(3)19/h4-10H,1-3H3,(H,18,19).
What are the key properties of (3,4-dimethylphenyl) 4-acetamidobenzoate?
(3,4-dimethylphenyl) 4-acetamidobenzoate has a molecular weight of 283.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl) 4-acetamidobenzoate is sourced from PubChem (CID 4010192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).