[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate

C20H21NO4 — CID 7949828

IUPAC[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
SMILESCCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H21NO4/c1-4-15-5-7-16(8-6-15)19(23)13(2)25-20(24)17-9-11-18(12-10-17)21-14(3)22/h5-13H,4H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyPUBODVDLFBBZAH-CYBMUJFWSA-N
MW339.39 g/mol
LogP3.64
Rot. Bonds6

About [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate

[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate (PubChem CID 7949828) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
PubChem CID7949828
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
SMILESCCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H21NO4/c1-4-15-5-7-16(8-6-15)19(23)13(2)25-20(24)17-9-11-18(12-10-17)21-14(3)22/h5-13H,4H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyPUBODVDLFBBZAH-CYBMUJFWSA-N
XLogP3.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate with MolForge

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Related Compounds

4-O-[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239598
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 882656
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 7775657
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7752998
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 957246
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8985418
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2-phenylacetyl)amino]benzoate
CID 1342655
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-ethylbenzoate
CID 7775654
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514558
bis[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] (E)-but-2-enedioate
CID 51872840
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-nitrobenzoate
CID 7834702

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate?
The IUPAC name of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate (CID 7949828) is [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate.
What is the SMILES notation for [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate?
The canonical SMILES for [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate is CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate?
The InChIKey is PUBODVDLFBBZAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21NO4/c1-4-15-5-7-16(8-6-15)19(23)13(2)25-20(24)17-9-11-18(12-10-17)21-14(3)22/h5-13H,4H2,1-3H3,(H,21,22)/t13-/m1/s1.
What are the key properties of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate?
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate has a molecular weight of 339.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate is sourced from PubChem (CID 7949828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).