ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate

C19H21NO2 — CID 15456276

IUPACethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
SMILESCCOC(=O)/C=C(/N[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-3-22-19(21)14-18(17-12-8-5-9-13-17)20-15(2)16-10-6-4-7-11-16/h4-15,20H,3H2,1-2H3/b18-14+/t15-/m1/s1
InChIKeyJLIDNOUBPJIZMD-LWFDYCOSSA-N
MW295.38 g/mol
LogP3.94
Rot. Bonds6

About ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate

ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate (PubChem CID 15456276) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
PubChem CID15456276
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nameethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
SMILESCCOC(=O)/C=C(/N[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-3-22-19(21)14-18(17-12-8-5-9-13-17)20-15(2)16-10-6-4-7-11-16/h4-15,20H,3H2,1-2H3/b18-14+/t15-/m1/s1
InChIKeyJLIDNOUBPJIZMD-LWFDYCOSSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-[[(1R)-1-phenylethyl]amino]but-2-enoate
CID 15947944
ethyl (Z)-3-[[(1R)-1-phenylethyl]amino]pent-2-enoate
CID 11218857
ethyl (E)-4,4-diethoxy-3-[[(1R)-1-phenylethyl]amino]but-2-enoate
CID 11163019
ethyl 3-(methylamino)-3-phenylprop-2-enoate
CID 58005139
(E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide
CID 51411566
methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
CID 51032017
ethyl (E)-3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-phenylprop-2-enoate
CID 102593541
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
ethyl (E)-3-(benzylamino)-3-phenylprop-2-enoate
CID 101404500
ethyl 3-[[(1R)-1-phenylethyl]carbamoyl]but-3-enoate
CID 102062178
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
CID 10084171

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate?
The IUPAC name of ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate (CID 15456276) is ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate is CCOC(=O)/C=C(/N[C@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate?
The InChIKey is JLIDNOUBPJIZMD-LWFDYCOSSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-22-19(21)14-18(17-12-8-5-9-13-17)20-15(2)16-10-6-4-7-11-16/h4-15,20H,3H2,1-2H3/b18-14+/t15-/m1/s1.
What are the key properties of ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate?
ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate has a molecular weight of 295.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate is sourced from PubChem (CID 15456276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).