ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate

C17H26N2O2 — CID 6054596

IUPACethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate
SMILESCCOC(=O)/C(=C\c1ccc(N(C)C)cc1)N(CC)CC
InChIInChI=1S/C17H26N2O2/c1-6-19(7-2)16(17(20)21-8-3)13-14-9-11-15(12-10-14)18(4)5/h9-13H,6-8H2,1-5H3/b16-13+
InChIKeyXVPXRVPMLURFFP-DTQAZKPQSA-N
MW290.41 g/mol
LogP3.00
Rot. Bonds7

About ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate

ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate (PubChem CID 6054596) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate
PubChem CID6054596
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate
SMILESCCOC(=O)/C(=C\c1ccc(N(C)C)cc1)N(CC)CC
InChIInChI=1S/C17H26N2O2/c1-6-19(7-2)16(17(20)21-8-3)13-14-9-11-15(12-10-14)18(4)5/h9-13H,6-8H2,1-5H3/b16-13+
InChIKeyXVPXRVPMLURFFP-DTQAZKPQSA-N
XLogP3.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate
CID 20832115
ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate
CID 6279814
diethyl 2,4-bis[[4-(dimethylamino)phenyl]methylidene]-3-oxopentanedioate
CID 139627313
ethyl 2-[[4-(dimethylamino)phenyl]methylidene]hexanoate
CID 141175136
ethyl (E)-2-benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 5388469
ethyl (E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate
CID 728728
2-[[4-(dimethylamino)phenyl]methylidene]butanoic acid
CID 74251589
dipropan-2-yl 2,4-bis[[4-(dimethylamino)phenyl]methylidene]-3-oxopentanedioate
CID 139645608
ethyl 2-(4-formyl-N-methylanilino)propanoate
CID 12038866
2-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]phenoxy]-N,N-diethylacetamide
CID 8684769
ethyl (Z)-3-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]-2-([1,3]oxazolo[4,5-b]quinoxalin-2-yl)prop-2-enoate
CID 59045285
ethyl 2-cyano-3-[4-[4-[[4-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-N-methylanilino]phenyl]methyl]-N-methylanilino]phenyl]prop-2-enoate
CID 123805797

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate (CID 6054596) is ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate is CCOC(=O)/C(=C\c1ccc(N(C)C)cc1)N(CC)CC.
What is the InChIKey of ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate?
The InChIKey is XVPXRVPMLURFFP-DTQAZKPQSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-19(7-2)16(17(20)21-8-3)13-14-9-11-15(12-10-14)18(4)5/h9-13H,6-8H2,1-5H3/b16-13+.
What are the key properties of ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate?
ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate has a molecular weight of 290.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate is sourced from PubChem (CID 6054596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).