2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride

C22H28ClNO2 — CID 175493319

IUPAC2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride
SMILESCCN(CC)CCOC(=O)/C=C/C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H27NO2.ClH/c1-3-23(4-2)17-18-25-22(24)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-16,21H,3-4,17-18H2,1-2H3;1H/b16-15+;
InChIKeyGMTRMRXFOWCLAM-GEEYTBSJSA-N
MW373.92 g/mol
LogP4.68
Rot. Bonds9

About 2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride

2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride (PubChem CID 175493319) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is 2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride
PubChem CID175493319
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride
SMILESCCN(CC)CCOC(=O)/C=C/C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H27NO2.ClH/c1-3-23(4-2)17-18-25-22(24)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-16,21H,3-4,17-18H2,1-2H3;1H/b16-15+;
InChIKeyGMTRMRXFOWCLAM-GEEYTBSJSA-N
XLogP4.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 54.68
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

bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
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CID 45264976
ethyl (E)-6-bromo-4-phenylhex-2-enoate
CID 102293722
4-O-[2-(diethylamino)ethyl] 1-O-pentadecyl (E)-but-2-enedioate
CID 91698954
4-O-[2-(diethylamino)ethyl] 1-O-heptadecyl (E)-but-2-enedioate
CID 91698956
2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride
CID 20833921
2-[chloro(phenyl)methoxy]-N,N-diethylethanamine
CID 70132792
2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride
CID 138400827
[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate
CID 10406675
ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate
CID 102022005

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride (CID 175493319) is 2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride is CCN(CC)CCOC(=O)/C=C/C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride?
The InChIKey is GMTRMRXFOWCLAM-GEEYTBSJSA-N. The full InChI is InChI=1S/C22H27NO2.ClH/c1-3-23(4-2)17-18-25-22(24)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-16,21H,3-4,17-18H2,1-2H3;1H/b16-15+;.
What are the key properties of 2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride?
2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride has a molecular weight of 373.92 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride is sourced from PubChem (CID 175493319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).