methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate

C19H19NO5 — CID 7654687

IUPACmethyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H19NO5/c1-24-19(23)15-8-10-16(11-9-15)20-17(21)13-25-18(22)12-7-14-5-3-2-4-6-14/h2-6,8-11H,7,12-13H2,1H3,(H,20,21)
InChIKeyDIWUVTGFAIHRPY-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.59
Rot. Bonds7

About methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate

methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate (PubChem CID 7654687) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
PubChem CID7654687
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H19NO5/c1-24-19(23)15-8-10-16(11-9-15)20-17(21)13-25-18(22)12-7-14-5-3-2-4-6-14/h2-6,8-11H,7,12-13H2,1H3,(H,20,21)
InChIKeyDIWUVTGFAIHRPY-UHFFFAOYSA-N
XLogP2.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate
CID 8551955
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 7043065
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate
CID 7958308
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
methyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate
CID 4628169
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-phenylpropanoate
CID 26747020
ethyl 4-[[2-(3-phenylpropanoylamino)acetyl]amino]benzoate
CID 113000783
methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7796353
methyl 4-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 7764445
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
CID 8506747
methyl 4-[[2-[(2S)-2-(carbamoylamino)-3-phenylpropanoyl]oxyacetyl]amino]benzoate
CID 8937048
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate (CID 7654687) is methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1.
What is the InChIKey of methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate?
The InChIKey is DIWUVTGFAIHRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-24-19(23)15-8-10-16(11-9-15)20-17(21)13-25-18(22)12-7-14-5-3-2-4-6-14/h2-6,8-11H,7,12-13H2,1H3,(H,20,21).
What are the key properties of methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate?
methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate has a molecular weight of 341.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate is sourced from PubChem (CID 7654687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).