2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate

C14H19NO2 — CID 102115295

IUPAC2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate
SMILESCN(C)CCOC(=O)C/C=C/c1ccccc1
InChIInChI=1S/C14H19NO2/c1-15(2)11-12-17-14(16)10-6-9-13-7-4-3-5-8-13/h3-9H,10-12H2,1-2H3/b9-6+
InChIKeyPHXSGIPJQINUHX-RMKNXTFCSA-N
MW233.31 g/mol
LogP2.19
Rot. Bonds6

About 2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate

2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate (PubChem CID 102115295) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate
PubChem CID102115295
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate
SMILESCN(C)CCOC(=O)C/C=C/c1ccccc1
InChIInChI=1S/C14H19NO2/c1-15(2)11-12-17-14(16)10-6-9-13-7-4-3-5-8-13/h3-9H,10-12H2,1-2H3/b9-6+
InChIKeyPHXSGIPJQINUHX-RMKNXTFCSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 4-phenylbut-3-enoate
CID 575894
N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid
CID 70686302
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
CID 170798811
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
CID 2930131
4-(dimethylamino)butyl (E)-3-phenylprop-2-enoate
CID 21249779
ethyl 4-(4-anilinophenyl)but-3-enoate
CID 170797083
4-(dimethylamino)butyl 3-phenylprop-2-enoate
CID 70229404
trichloromethyl 4-phenylbut-3-enoate
CID 142695705
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
(E)-3-[4-(4-ethoxy-4-oxobut-1-enyl)phenyl]prop-2-enoic acid
CID 170796667

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate?
The IUPAC name of 2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate (CID 102115295) is 2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate is CN(C)CCOC(=O)C/C=C/c1ccccc1.
What is the InChIKey of 2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate?
The InChIKey is PHXSGIPJQINUHX-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(2)11-12-17-14(16)10-6-9-13-7-4-3-5-8-13/h3-9H,10-12H2,1-2H3/b9-6+.
What are the key properties of 2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate?
2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate has a molecular weight of 233.31 g/mol, XLogP of 2.19, 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)-4-phenylbut-3-enoate is sourced from PubChem (CID 102115295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).