phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate

C19H19NO4 — CID 8884992

IUPACphenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
SMILESCc1cccc(C(=O)N[C@@H](C)C(=O)OCC(=O)c2ccccc2)c1
InChIInChI=1S/C19H19NO4/c1-13-7-6-10-16(11-13)18(22)20-14(2)19(23)24-12-17(21)15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyAQGBASVZGVUELS-AWEZNQCLSA-N
MW325.36 g/mol
LogP2.54
Rot. Bonds6

About phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate

phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate (PubChem CID 8884992) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namephenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
PubChem CID8884992
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namephenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
SMILESCc1cccc(C(=O)N[C@@H](C)C(=O)OCC(=O)c2ccccc2)c1
InChIInChI=1S/C19H19NO4/c1-13-7-6-10-16(11-13)18(22)20-14(2)19(23)24-12-17(21)15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyAQGBASVZGVUELS-AWEZNQCLSA-N
XLogP2.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885301
[2-(dimethylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885262
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2R)-2-[(3-methylbenzoyl)amino]propanoate
CID 39905970
[2-(3-methylanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884724
[2-(3,5-dimethylanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884835
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2R)-2-benzamidopropanoate
CID 2593672
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885264
[2-(2-cyanoanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884755
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885905
[2-(3,4-dimethylphenyl)-2-oxoethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 42983022
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884714

Frequently Asked Questions

What is the IUPAC name of phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate?
The IUPAC name of phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate (CID 8884992) is phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate.
What is the SMILES notation for phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate?
The canonical SMILES for phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate is Cc1cccc(C(=O)N[C@@H](C)C(=O)OCC(=O)c2ccccc2)c1.
What is the InChIKey of phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate?
The InChIKey is AQGBASVZGVUELS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-7-6-10-16(11-13)18(22)20-14(2)19(23)24-12-17(21)15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate?
phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate has a molecular weight of 325.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 8884992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).