methyl 2-(3-phenylpropanoylamino)benzoate

C17H17NO3 — CID 903133

IUPACmethyl 2-(3-phenylpropanoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-17(20)14-9-5-6-10-15(14)18-16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyCNGJQNQKHOVOAD-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.04
Rot. Bonds5

About methyl 2-(3-phenylpropanoylamino)benzoate

methyl 2-(3-phenylpropanoylamino)benzoate (PubChem CID 903133) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 2-(3-phenylpropanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(3-phenylpropanoylamino)benzoate
PubChem CID903133
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-(3-phenylpropanoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-17(20)14-9-5-6-10-15(14)18-16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyCNGJQNQKHOVOAD-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 2-(3-phenylpropanoylamino)benzoate?
The IUPAC name of methyl 2-(3-phenylpropanoylamino)benzoate (CID 903133) is methyl 2-(3-phenylpropanoylamino)benzoate.
What is the SMILES notation for methyl 2-(3-phenylpropanoylamino)benzoate?
The canonical SMILES for methyl 2-(3-phenylpropanoylamino)benzoate is COC(=O)c1ccccc1NC(=O)CCc1ccccc1.
What is the InChIKey of methyl 2-(3-phenylpropanoylamino)benzoate?
The InChIKey is CNGJQNQKHOVOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-17(20)14-9-5-6-10-15(14)18-16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,19).
What are the key properties of methyl 2-(3-phenylpropanoylamino)benzoate?
methyl 2-(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 2-(3-phenylpropanoylamino)benzoate is sourced from PubChem (CID 903133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).