ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate

C19H19NO3 — CID 4270908

IUPACethyl 2-(2,3-diphenylprop-2-enoylamino)acetate
SMILESCCOC(=O)CNC(=O)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-2-23-18(21)14-20-19(22)17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,20,22)
InChIKeyLXITYCGIIONADP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.91
Rot. Bonds6

About ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate

ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate (PubChem CID 4270908) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-diphenylprop-2-enoylamino)acetate
PubChem CID4270908
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl 2-(2,3-diphenylprop-2-enoylamino)acetate
SMILESCCOC(=O)CNC(=O)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-2-23-18(21)14-20-19(22)17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,20,22)
InChIKeyLXITYCGIIONADP-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate
CID 11289421
methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate
CID 102534464
(E)-N-(2-methoxyethyl)-2,3-diphenylprop-2-enamide
CID 19174350
ethyl 2-[[(E)-1-methylsulfanyl-3-oxo-3-phenylprop-1-enyl]amino]acetate
CID 134923099
ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate
CID 19165915
ethyl 2-(1-phenylethenylamino)acetate
CID 142204564
ethyl (2E,4Z)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienoate
CID 72736843
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
(E)-N-(2-ethoxyphenyl)-2,3-diphenylprop-2-enamide
CID 6522812

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate?
The IUPAC name of ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate (CID 4270908) is ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate.
What is the SMILES notation for ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate?
The canonical SMILES for ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate is CCOC(=O)CNC(=O)C(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate?
The InChIKey is LXITYCGIIONADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-23-18(21)14-20-19(22)17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,20,22).
What are the key properties of ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate?
ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate has a molecular weight of 309.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate is sourced from PubChem (CID 4270908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).