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

C21H24N2O5 — CID 9061126

IUPAC[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
SMILESCOc1ccccc1CNC(=O)[C@H](C)OC(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H24N2O5/c1-14(21(26)22-13-17-6-4-5-7-19(17)27-3)28-20(25)12-16-8-10-18(11-9-16)23-15(2)24/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,24)/t14-/m0/s1
InChIKeyXFDLLDKDBKDFIF-AWEZNQCLSA-N
MW384.43 g/mol
LogP2.44
Rot. Bonds8

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

[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate (PubChem CID 9061126) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
PubChem CID9061126
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
SMILESCOc1ccccc1CNC(=O)[C@H](C)OC(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H24N2O5/c1-14(21(26)22-13-17-6-4-5-7-19(17)27-3)28-20(25)12-16-8-10-18(11-9-16)23-15(2)24/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,24)/t14-/m0/s1
InChIKeyXFDLLDKDBKDFIF-AWEZNQCLSA-N
XLogP2.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9061147
N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 38206034
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611777
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8671590
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667089
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55419703
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759142
[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 9061428
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886117
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 40661947
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874804

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate (CID 9061126) is [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate is COc1ccccc1CNC(=O)[C@H](C)OC(=O)Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate?
The InChIKey is XFDLLDKDBKDFIF-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14(21(26)22-13-17-6-4-5-7-19(17)27-3)28-20(25)12-16-8-10-18(11-9-16)23-15(2)24/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,24)/t14-/m0/s1.
What are the key properties of [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate?
[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate has a molecular weight of 384.43 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 9061126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).