(4-methylphenyl) 3-acetamidobenzoate

C16H15NO3 — CID 47098191

IUPAC(4-methylphenyl) 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)Oc2ccc(C)cc2)c1
InChIInChI=1S/C16H15NO3/c1-11-6-8-15(9-7-11)20-16(19)13-4-3-5-14(10-13)17-12(2)18/h3-10H,1-2H3,(H,17,18)
InChIKeyGHPWRQXQVMLFPK-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.17
Rot. Bonds3

About (4-methylphenyl) 3-acetamidobenzoate

(4-methylphenyl) 3-acetamidobenzoate (PubChem CID 47098191) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (4-methylphenyl) 3-acetamidobenzoate.

Molecular Properties

Compound Name(4-methylphenyl) 3-acetamidobenzoate
PubChem CID47098191
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(4-methylphenyl) 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)Oc2ccc(C)cc2)c1
InChIInChI=1S/C16H15NO3/c1-11-6-8-15(9-7-11)20-16(19)13-4-3-5-14(10-13)17-12(2)18/h3-10H,1-2H3,(H,17,18)
InChIKeyGHPWRQXQVMLFPK-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.17
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

(4-methylphenyl) 3-(carbamoylamino)benzoate
CID 47098186
(4-chlorophenyl) 3-acetamidobenzoate
CID 47098149
(3-acetamidophenyl) 3-fluorobenzoate
CID 8007869
ethyl 3-acetamidobenzoate
CID 700589
(3-acetamidophenyl) 3-ethoxybenzoate
CID 780025
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093
(4-methoxycarbonylphenyl) 3-(ethoxycarbonylamino)benzoate
CID 26689674
phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate
CID 71676330
(4-acetylphenyl) 3-acetylbenzoate
CID 58763507
(3-acetamidophenyl) 3-cyanobenzoate
CID 8874059
(4-acetylphenyl) 3-methylbenzoate
CID 795319
1-O-methyl 3-O-[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzene-1,3-dicarboxylate
CID 22898067

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 3-acetamidobenzoate?
The IUPAC name of (4-methylphenyl) 3-acetamidobenzoate (CID 47098191) is (4-methylphenyl) 3-acetamidobenzoate.
What is the SMILES notation for (4-methylphenyl) 3-acetamidobenzoate?
The canonical SMILES for (4-methylphenyl) 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)Oc2ccc(C)cc2)c1.
What is the InChIKey of (4-methylphenyl) 3-acetamidobenzoate?
The InChIKey is GHPWRQXQVMLFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-6-8-15(9-7-11)20-16(19)13-4-3-5-14(10-13)17-12(2)18/h3-10H,1-2H3,(H,17,18).
What are the key properties of (4-methylphenyl) 3-acetamidobenzoate?
(4-methylphenyl) 3-acetamidobenzoate has a molecular weight of 269.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 3-acetamidobenzoate is sourced from PubChem (CID 47098191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).