ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate

C20H21NO3 — CID 135022569

IUPACethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate
SMILESC=Cc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)OCC)cc1
InChIInChI=1S/C20H21NO3/c1-3-15-10-12-16(13-11-15)14-18(20(23)24-4-2)21-19(22)17-8-6-5-7-9-17/h3,5-13,18H,1,4,14H2,2H3,(H,21,22)/t18-/m0/s1
InChIKeyWKJLOGDNPBGUSY-SFHVURJKSA-N
MW323.39 g/mol
LogP3.23
Rot. Bonds7

About ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate

ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate (PubChem CID 135022569) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate
PubChem CID135022569
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Nameethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate
SMILESC=Cc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)OCC)cc1
InChIInChI=1S/C20H21NO3/c1-3-15-10-12-16(13-11-15)14-18(20(23)24-4-2)21-19(22)17-8-6-5-7-9-17/h3,5-13,18H,1,4,14H2,2H3,(H,21,22)/t18-/m0/s1
InChIKeyWKJLOGDNPBGUSY-SFHVURJKSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethenyl (2S)-2-benzamido-3-phenylpropanoate
CID 90679313
[4-(2-benzamido-3-ethoxy-3-oxopropyl)-2-benzoyloxyphenyl] benzoate
CID 162952199
methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate
CID 2801513
butyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 101068161
ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate
CID 14632322
hexyl 2-benzamido-3-phenylpropanoate
CID 569464
ethyl (2S)-3-phenyl-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
CID 129232233
ethyl 2-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 12607993
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
ethyl (2S)-2-[2-(1-hydroxyethyl)but-3-enoylamino]-3-phenylpropanoate
CID 135018453
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate?
The IUPAC name of ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate (CID 135022569) is ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate.
What is the SMILES notation for ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate?
The canonical SMILES for ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate is C=Cc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)OCC)cc1.
What is the InChIKey of ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate?
The InChIKey is WKJLOGDNPBGUSY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-15-10-12-16(13-11-15)14-18(20(23)24-4-2)21-19(22)17-8-6-5-7-9-17/h3,5-13,18H,1,4,14H2,2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate?
ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate has a molecular weight of 323.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate is sourced from PubChem (CID 135022569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).