ethyl 3-(3-phenylpropanoylamino)benzoate

C18H19NO3 — CID 670777

IUPACethyl 3-(3-phenylpropanoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-2-22-18(21)15-9-6-10-16(13-15)19-17(20)12-11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,19,20)
InChIKeyVFFFCWNRGQFYQE-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.43
Rot. Bonds6

About ethyl 3-(3-phenylpropanoylamino)benzoate

ethyl 3-(3-phenylpropanoylamino)benzoate (PubChem CID 670777) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 3-(3-phenylpropanoylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(3-phenylpropanoylamino)benzoate
PubChem CID670777
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 3-(3-phenylpropanoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-2-22-18(21)15-9-6-10-16(13-15)19-17(20)12-11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,19,20)
InChIKeyVFFFCWNRGQFYQE-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(3-phenylpropanoylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-phenylpropanoylamino)benzoate?
The IUPAC name of ethyl 3-(3-phenylpropanoylamino)benzoate (CID 670777) is ethyl 3-(3-phenylpropanoylamino)benzoate.
What is the SMILES notation for ethyl 3-(3-phenylpropanoylamino)benzoate?
The canonical SMILES for ethyl 3-(3-phenylpropanoylamino)benzoate is CCOC(=O)c1cccc(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of ethyl 3-(3-phenylpropanoylamino)benzoate?
The InChIKey is VFFFCWNRGQFYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-22-18(21)15-9-6-10-16(13-15)19-17(20)12-11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,19,20).
What are the key properties of ethyl 3-(3-phenylpropanoylamino)benzoate?
ethyl 3-(3-phenylpropanoylamino)benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-phenylpropanoylamino)benzoate is sourced from PubChem (CID 670777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).