methyl 3-(3-phenylpropanoylamino)benzoate

C17H17NO3 — CID 2072960

IUPACmethyl 3-(3-phenylpropanoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-21-17(20)14-8-5-9-15(12-14)18-16(19)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,18,19)
InChIKeyMLFRVDZRZRZRCY-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.04
Rot. Bonds5

About methyl 3-(3-phenylpropanoylamino)benzoate

methyl 3-(3-phenylpropanoylamino)benzoate (PubChem CID 2072960) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 3-(3-phenylpropanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(3-phenylpropanoylamino)benzoate
PubChem CID2072960
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 3-(3-phenylpropanoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-21-17(20)14-8-5-9-15(12-14)18-16(19)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,18,19)
InChIKeyMLFRVDZRZRZRCY-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-phenylpropanoylamino)benzoate?
The IUPAC name of methyl 3-(3-phenylpropanoylamino)benzoate (CID 2072960) is methyl 3-(3-phenylpropanoylamino)benzoate.
What is the SMILES notation for methyl 3-(3-phenylpropanoylamino)benzoate?
The canonical SMILES for methyl 3-(3-phenylpropanoylamino)benzoate is COC(=O)c1cccc(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of methyl 3-(3-phenylpropanoylamino)benzoate?
The InChIKey is MLFRVDZRZRZRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-17(20)14-8-5-9-15(12-14)18-16(19)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,18,19).
What are the key properties of methyl 3-(3-phenylpropanoylamino)benzoate?
methyl 3-(3-phenylpropanoylamino)benzoate has a molecular weight of 283.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-phenylpropanoylamino)benzoate is sourced from PubChem (CID 2072960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).