[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate

C21H24N2O4 — CID 9061147

IUPAC[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)O[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-14-4-6-18(7-5-14)13-22-21(26)15(2)27-20(25)12-17-8-10-19(11-9-17)23-16(3)24/h4-11,15H,12-13H2,1-3H3,(H,22,26)(H,23,24)/t15-/m0/s1
InChIKeyXMEVGEFBPYTFTF-HNNXBMFYSA-N
MW368.43 g/mol
LogP2.74
Rot. Bonds7

About [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate

[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate (PubChem CID 9061147) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
PubChem CID9061147
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)O[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-14-4-6-18(7-5-14)13-22-21(26)15(2)27-20(25)12-17-8-10-19(11-9-17)23-16(3)24/h4-11,15H,12-13H2,1-3H3,(H,22,26)(H,23,24)/t15-/m0/s1
InChIKeyXMEVGEFBPYTFTF-HNNXBMFYSA-N
XLogP2.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate with MolForge

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Related Compounds

[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063142
[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9061126
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8671590
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611777
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8527103
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate
CID 8610004
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611022
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759142
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9307468
4-[(4-acetamidophenyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496555
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate (CID 9061147) is [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)O[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate?
The InChIKey is XMEVGEFBPYTFTF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-4-6-18(7-5-14)13-22-21(26)15(2)27-20(25)12-17-8-10-19(11-9-17)23-16(3)24/h4-11,15H,12-13H2,1-3H3,(H,22,26)(H,23,24)/t15-/m0/s1.
What are the key properties of [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate?
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate has a molecular weight of 368.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 9061147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).