cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate

C20H20N2O2 — CID 90672837

IUPACcyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate
SMILESN#CCOC(=O)[C@H](Cc1ccccc1)NC/C=C/c1ccccc1
InChIInChI=1S/C20H20N2O2/c21-13-15-24-20(23)19(16-18-10-5-2-6-11-18)22-14-7-12-17-8-3-1-4-9-17/h1-12,19,22H,14-16H2/b12-7+/t19-/m0/s1
InChIKeyDMAMACMKWQJSLO-UBIUBJKMSA-N
MW320.39 g/mol
LogP2.97
Rot. Bonds8

About cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate

cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate (PubChem CID 90672837) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate.

Molecular Properties

Compound Namecyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate
PubChem CID90672837
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Namecyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate
SMILESN#CCOC(=O)[C@H](Cc1ccccc1)NC/C=C/c1ccccc1
InChIInChI=1S/C20H20N2O2/c21-13-15-24-20(23)19(16-18-10-5-2-6-11-18)22-14-7-12-17-8-3-1-4-9-17/h1-12,19,22H,14-16H2/b12-7+/t19-/m0/s1
InChIKeyDMAMACMKWQJSLO-UBIUBJKMSA-N
XLogP2.97
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate 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 cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate?
The IUPAC name of cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate (CID 90672837) is cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate.
What is the SMILES notation for cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate?
The canonical SMILES for cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate is N#CCOC(=O)[C@H](Cc1ccccc1)NC/C=C/c1ccccc1.
What is the InChIKey of cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate?
The InChIKey is DMAMACMKWQJSLO-UBIUBJKMSA-N. The full InChI is InChI=1S/C20H20N2O2/c21-13-15-24-20(23)19(16-18-10-5-2-6-11-18)22-14-7-12-17-8-3-1-4-9-17/h1-12,19,22H,14-16H2/b12-7+/t19-/m0/s1.
What are the key properties of cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate?
cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate has a molecular weight of 320.39 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanoate is sourced from PubChem (CID 90672837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).