[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate

C19H19NO4 — CID 882656

IUPAC[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-12-4-6-15(7-5-12)18(22)13(2)24-19(23)16-8-10-17(11-9-16)20-14(3)21/h4-11,13H,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyDSZNNIXNFKAYTK-ZDUSSCGKSA-N
MW325.36 g/mol
LogP3.38
Rot. Bonds5

About [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate

[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate (PubChem CID 882656) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
PubChem CID882656
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-12-4-6-15(7-5-12)18(22)13(2)24-19(23)16-8-10-17(11-9-16)20-14(3)21/h4-11,13H,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyDSZNNIXNFKAYTK-ZDUSSCGKSA-N
XLogP3.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 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

[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949828
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate
CID 1217838
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2-phenylacetyl)amino]benzoate
CID 1342655
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 957246
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 40728613
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-aminobenzoate
CID 51980309
[1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate
CID 2901178
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-methylbenzoate
CID 7972023
bis[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] (E)-but-2-enedioate
CID 51872840
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478239
[(2S)-1-anilino-1-oxopropan-2-yl] 4-methylbenzoate
CID 2506398

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate?
The IUPAC name of [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate (CID 882656) is [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate.
What is the SMILES notation for [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate?
The canonical SMILES for [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate?
The InChIKey is DSZNNIXNFKAYTK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12-4-6-15(7-5-12)18(22)13(2)24-19(23)16-8-10-17(11-9-16)20-14(3)21/h4-11,13H,1-3H3,(H,20,21)/t13-/m0/s1.
What are the key properties of [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate?
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate has a molecular weight of 325.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate is sourced from PubChem (CID 882656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).