[2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate

C21H22N2O5 — CID 8885301

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)[C@H](C)NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C21H22N2O5/c1-13-5-4-6-17(11-13)20(26)22-14(2)21(27)28-12-19(25)16-7-9-18(10-8-16)23-15(3)24/h4-11,14H,12H2,1-3H3,(H,22,26)(H,23,24)/t14-/m0/s1
InChIKeyOLKBYWZYSJPPMW-AWEZNQCLSA-N
MW382.42 g/mol
LogP2.50
Rot. Bonds7

About [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate

[2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate (PubChem CID 8885301) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
PubChem CID8885301
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)[C@H](C)NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C21H22N2O5/c1-13-5-4-6-17(11-13)20(26)22-14(2)21(27)28-12-19(25)16-7-9-18(10-8-16)23-15(3)24/h4-11,14H,12H2,1-3H3,(H,22,26)(H,23,24)/t14-/m0/s1
InChIKeyOLKBYWZYSJPPMW-AWEZNQCLSA-N
XLogP2.50
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate with MolForge

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Related Compounds

phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884992
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
[2-(3-methylanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884724
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2R)-2-[(3-methylbenzoyl)amino]propanoate
CID 39905970
[2-(3,5-dimethylanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884835
[2-(dimethylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885262
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42976841
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 7571920
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885905
N-[4-[2-(3-methylphenoxy)acetyl]phenyl]acetamide
CID 167959701
[2-(3,4-dimethylphenyl)-2-oxoethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 42983022

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate (CID 8885301) is [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate is CC(=O)Nc1ccc(C(=O)COC(=O)[C@H](C)NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate?
The InChIKey is OLKBYWZYSJPPMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-13-5-4-6-17(11-13)20(26)22-14(2)21(27)28-12-19(25)16-7-9-18(10-8-16)23-15(3)24/h4-11,14H,12H2,1-3H3,(H,22,26)(H,23,24)/t14-/m0/s1.
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate?
[2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate has a molecular weight of 382.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 8885301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).