2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate

C19H20ClNO2 — CID 97301971

IUPAC2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
SMILESCN(C)CCOC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO2/c1-21(2)12-13-23-19(22)18(14-15-6-4-3-5-7-15)16-8-10-17(20)11-9-16/h3-11,14H,12-13H2,1-2H3/b18-14+
InChIKeyWWDLLPBJXFBSGW-NBVRZTHBSA-N
MW329.83 g/mol
LogP3.99
Rot. Bonds6

About 2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate

2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate (PubChem CID 97301971) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
PubChem CID97301971
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
SMILESCN(C)CCOC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO2/c1-21(2)12-13-23-19(22)18(14-15-6-4-3-5-7-15)16-8-10-17(20)11-9-16/h3-11,14H,12-13H2,1-2H3/b18-14+
InChIKeyWWDLLPBJXFBSGW-NBVRZTHBSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate 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

2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate
CID 6857977
[2-(methylamino)-2-oxoethyl] (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 7675877
[2-(2-acetylhydrazinyl)-2-oxoethyl] (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 7675858
2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate
CID 173477816
2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride
CID 53446850
(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 7063195
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 7675857
(2-amino-2-oxoethyl) (E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate
CID 2599764
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
dimethyl-[2-[(Z)-2-(4-nitrophenyl)-3-phenylprop-2-enoyl]oxyethyl]azanium chloride
CID 6536684
(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
CID 6276844
(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate (CID 97301971) is 2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate is CN(C)CCOC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate?
The InChIKey is WWDLLPBJXFBSGW-NBVRZTHBSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-21(2)12-13-23-19(22)18(14-15-6-4-3-5-7-15)16-8-10-17(20)11-9-16/h3-11,14H,12-13H2,1-2H3/b18-14+.
What are the key properties of 2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate?
2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate has a molecular weight of 329.83 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate is sourced from PubChem (CID 97301971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).