ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate

C19H21NO2 — CID 90042137

IUPACethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate
SMILESCCOC(=O)C(NC/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-22-19(21)18(17-13-7-4-8-14-17)20-15-9-12-16-10-5-3-6-11-16/h3-14,18,20H,2,15H2,1H3/b12-9+
InChIKeyKONBARFTKWPKFE-FMIVXFBMSA-N
MW295.38 g/mol
LogP3.59
Rot. Bonds7

About ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate

ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate (PubChem CID 90042137) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate
PubChem CID90042137
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nameethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate
SMILESCCOC(=O)C(NC/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-22-19(21)18(17-13-7-4-8-14-17)20-15-9-12-16-10-5-3-6-11-16/h3-14,18,20H,2,15H2,1H3/b12-9+
InChIKeyKONBARFTKWPKFE-FMIVXFBMSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
methyl 2-(3-phenylprop-2-enylamino)propanoate
CID 78989064
ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate
CID 103952035
diethyl 2-(3-phenylprop-2-enoylamino)propanedioate
CID 141472099
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
ethyl 2-hydroxy-6-phenylhex-5-enoate
CID 69249152

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate?
The IUPAC name of ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate (CID 90042137) is ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate.
What is the SMILES notation for ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate?
The canonical SMILES for ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate is CCOC(=O)C(NC/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate?
The InChIKey is KONBARFTKWPKFE-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-22-19(21)18(17-13-7-4-8-14-17)20-15-9-12-16-10-5-3-6-11-16/h3-14,18,20H,2,15H2,1H3/b12-9+.
What are the key properties of ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate?
ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate has a molecular weight of 295.38 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate is sourced from PubChem (CID 90042137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).