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

Name: 2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₉NO₂ — CID 102115295

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate
PubChem CID	102115295
Molecular Formula	C₁₄H₁₉NO₂
Molecular Weight	233.31 g/mol
Exact Mass	233.14
IUPAC Name	2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate
SMILES	CN(C)CCOC(=O)C/C=C/c1ccccc1
InChI	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+
InChIKey	PHXSGIPJQINUHX-RMKNXTFCSA-N
XLogP	2.19
TPSA	29.54 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.31
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 102115295 — identifiers, structure, computed properties (public domain)

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