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

C15H21NO2 — CID 6279814

IUPACethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C(=C\c1ccccc1)N(CC)CC
InChIInChI=1S/C15H21NO2/c1-4-16(5-2)14(15(17)18-6-3)12-13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3/b14-12+
InChIKeyOGXGGCUNOIPZKY-WYMLVPIESA-N
MW247.34 g/mol
LogP2.93
Rot. Bonds6

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

ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate (PubChem CID 6279814) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate
PubChem CID6279814
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C(=C\c1ccccc1)N(CC)CC
InChIInChI=1S/C15H21NO2/c1-4-16(5-2)14(15(17)18-6-3)12-13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3/b14-12+
InChIKeyOGXGGCUNOIPZKY-WYMLVPIESA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.93
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

ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 6054596
ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate
CID 20832115
(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
CID 643851
ethyl (Z)-2-(diethylamino)-4,4-diphenylbut-2-enoate;hydrochloride
CID 175493317
ethyl (Z)-2-(bromomethyl)-3-phenyl(313C)prop-2-enoate
CID 11369236
ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate
CID 15881087
ethyl 2-methylsulfanyl-3-phenylprop-2-enoate
CID 71381071
ethyl 2-benzylidene-4-methoxy-3-oxobutanoate
CID 54573207
ethyl 2-phenoxy-3-phenylprop-2-enoate
CID 72829048
ethyl (E)-2-methylsulfonyl-3-phenylprop-2-enoate
CID 12604139
ethyl (E)-2-benzoyl-3-phenylprop-2-enoate
CID 5378099
ethyl (Z)-2-(acetyloxymethyl)-3-phenylprop-2-enoate
CID 134918551

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate?
The IUPAC name of ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate (CID 6279814) is ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate is CCOC(=O)/C(=C\c1ccccc1)N(CC)CC.
What is the InChIKey of ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate?
The InChIKey is OGXGGCUNOIPZKY-WYMLVPIESA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-16(5-2)14(15(17)18-6-3)12-13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3/b14-12+.
What are the key properties of ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate?
ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate has a molecular weight of 247.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate is sourced from PubChem (CID 6279814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).