ethyl 2-benzamido-3-phenylpropanoate

C18H19NO3 — CID 570002

IUPACethyl 2-benzamido-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-2-22-18(21)16(13-14-9-5-3-6-10-14)19-17(20)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,20)
InChIKeyWTVXOKSBXDTJEM-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.59
Rot. Bonds6

About ethyl 2-benzamido-3-phenylpropanoate

ethyl 2-benzamido-3-phenylpropanoate (PubChem CID 570002) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-benzamido-3-phenylpropanoate
PubChem CID570002
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 2-benzamido-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-2-22-18(21)16(13-14-9-5-3-6-10-14)19-17(20)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,20)
InChIKeyWTVXOKSBXDTJEM-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-3-phenylpropanoate?
The IUPAC name of ethyl 2-benzamido-3-phenylpropanoate (CID 570002) is ethyl 2-benzamido-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-benzamido-3-phenylpropanoate?
The canonical SMILES for ethyl 2-benzamido-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of ethyl 2-benzamido-3-phenylpropanoate?
The InChIKey is WTVXOKSBXDTJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-22-18(21)16(13-14-9-5-3-6-10-14)19-17(20)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,20).
What are the key properties of ethyl 2-benzamido-3-phenylpropanoate?
ethyl 2-benzamido-3-phenylpropanoate has a molecular weight of 297.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 570002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).