2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride

C15H22ClNO2 — CID 16682432

IUPAC2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride
SMILESCCN(CC)CCOC(=O)/C=C/c1ccccc1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-3-16(4-2)12-13-18-15(17)11-10-14-8-6-5-7-9-14;/h5-11H,3-4,12-13H2,1-2H3;1H/b11-10+;
InChIKeySBRNORNCUVESLG-ASTDGNLGSA-N
MW283.80 g/mol
LogP3.01
Rot. Bonds7

About 2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride

2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride (PubChem CID 16682432) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride
PubChem CID16682432
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride
SMILESCCN(CC)CCOC(=O)/C=C/c1ccccc1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-3-16(4-2)12-13-18-15(17)11-10-14-8-6-5-7-9-14;/h5-11H,3-4,12-13H2,1-2H3;1H/b11-10+;
InChIKeySBRNORNCUVESLG-ASTDGNLGSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzenemethanaminium, N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-, chloride (1:1)
CID 94530
Dimethylaminoethyl acrylate benzyl chloride
CID 162073
Cinnamoylcholine
CID 21363188
1-piperidin-1-ylpropan-2-yl (E)-3-phenylprop-2-enoate;hydrochloride
CID 5736625
Cinnamic acid, 3-(diethylamino)propyl ester
CID 5368051
1-Methyl-2-(4-morpholinyl)ethyl 3-phenylacrylate hydrochloride
CID 5736679
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate
CID 2360506
N,N-dimethyl-N-[2-oxo-2-(prop-2-ynyloxy)ethyl]-3-phenylprop-2-yn-1-aminium
CID 16193196
2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester
CID 422218
2-(dimethylamino)ethyl (2E)-3-phenylprop-2-enoate
CID 1551581
Acrylic acid, 3,3-diphenyl-, 2-diethylaminoethyl ester
CID 21591
2-[Tert-butyl(methyl)amino]ethyl 3-phenylacrylate hydrochloride
CID 5729923

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride (CID 16682432) is 2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride is CCN(CC)CCOC(=O)/C=C/c1ccccc1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride?
The InChIKey is SBRNORNCUVESLG-ASTDGNLGSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-3-16(4-2)12-13-18-15(17)11-10-14-8-6-5-7-9-14;/h5-11H,3-4,12-13H2,1-2H3;1H/b11-10+;.
What are the key properties of 2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride?
2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl (E)-3-phenylprop-2-enoate;hydrochloride is sourced from PubChem (CID 16682432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).