ethyl (2S)-2-benzamido-2-phenylacetate

C17H17NO3 — CID 7039308

IUPACethyl (2S)-2-benzamido-2-phenylacetate
SMILESCCOC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-21-17(20)15(13-9-5-3-6-10-13)18-16(19)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyGYEKVSOESPZWDI-HNNXBMFYSA-N
MW283.33 g/mol
LogP2.72
Rot. Bonds5

About ethyl (2S)-2-benzamido-2-phenylacetate

ethyl (2S)-2-benzamido-2-phenylacetate (PubChem CID 7039308) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl (2S)-2-benzamido-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-benzamido-2-phenylacetate
PubChem CID7039308
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl (2S)-2-benzamido-2-phenylacetate
SMILESCCOC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-21-17(20)15(13-9-5-3-6-10-13)18-16(19)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyGYEKVSOESPZWDI-HNNXBMFYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2S)-2-benzamido-2-phenylacetate 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 (2S)-2-benzamido-2-phenylacetate?
The IUPAC name of ethyl (2S)-2-benzamido-2-phenylacetate (CID 7039308) is ethyl (2S)-2-benzamido-2-phenylacetate.
What is the SMILES notation for ethyl (2S)-2-benzamido-2-phenylacetate?
The canonical SMILES for ethyl (2S)-2-benzamido-2-phenylacetate is CCOC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-benzamido-2-phenylacetate?
The InChIKey is GYEKVSOESPZWDI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-21-17(20)15(13-9-5-3-6-10-13)18-16(19)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of ethyl (2S)-2-benzamido-2-phenylacetate?
ethyl (2S)-2-benzamido-2-phenylacetate has a molecular weight of 283.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-benzamido-2-phenylacetate is sourced from PubChem (CID 7039308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).