ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate

C19H24N2O5 — CID 135529798

IUPACethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate
SMILESCCOC(=O)C(=C/N(C)C)/N=C/C(C(=O)OCC)=C(/O)c1ccccc1
InChIInChI=1S/C19H24N2O5/c1-5-25-18(23)15(17(22)14-10-8-7-9-11-14)12-20-16(13-21(3)4)19(24)26-6-2/h7-13,22H,5-6H2,1-4H3/b16-13-,17-15-,20-12+
InChIKeyUBNSVNFCCPMPDK-NXCTYQDZSA-N
MW360.41 g/mol
LogP2.56
Rot. Bonds8

About ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate

ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate (PubChem CID 135529798) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate
PubChem CID135529798
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Nameethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate
SMILESCCOC(=O)C(=C/N(C)C)/N=C/C(C(=O)OCC)=C(/O)c1ccccc1
InChIInChI=1S/C19H24N2O5/c1-5-25-18(23)15(17(22)14-10-8-7-9-11-14)12-20-16(13-21(3)4)19(24)26-6-2/h7-13,22H,5-6H2,1-4H3/b16-13-,17-15-,20-12+
InChIKeyUBNSVNFCCPMPDK-NXCTYQDZSA-N
XLogP2.56
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(carbamoyliminomethyl)-3-hydroxy-3-phenylprop-2-enoate
CID 173301487
ethyl (E)-2-[[(Z)-3-ethoxy-1-(1,2-oxazol-3-ylamino)-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135480119
ethyl 3-(dimethylamino)-2-phenylprop-2-enoate
CID 57057517
2-[[(Z)-2-ethoxycarbonyl-3-hydroxy-3-phenylprop-2-enylidene]amino]-3-methylbutanoic acid
CID 135417313
benzyl (Z)-2-[[(Z)-1-(dimethylamino)-3-methoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxybut-2-enoate
CID 135446187
ethyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]-3-phenylprop-2-enoate
CID 149163330
ethyl 3-hydroxy-2-methanimidoyl-3-phenylprop-2-enoate
CID 136776858
2-[[(Z)-2-ethoxycarbonyl-3-hydroxy-3-phenylprop-2-enylidene]amino]hexanoic acid
CID 135837105
ethyl (E)-2-[[(Z)-1-[2-(6-chloro-4-methylpyridazin-3-yl)hydrazinyl]-3-methoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135837174
ethyl 3-(dimethylamino)-2-isocyanatoprop-2-enoate
CID 54395864
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135401816

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate?
The IUPAC name of ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate (CID 135529798) is ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate is CCOC(=O)C(=C/N(C)C)/N=C/C(C(=O)OCC)=C(/O)c1ccccc1.
What is the InChIKey of ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate?
The InChIKey is UBNSVNFCCPMPDK-NXCTYQDZSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-5-25-18(23)15(17(22)14-10-8-7-9-11-14)12-20-16(13-21(3)4)19(24)26-6-2/h7-13,22H,5-6H2,1-4H3/b16-13-,17-15-,20-12+.
What are the key properties of ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate?
ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate has a molecular weight of 360.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate is sourced from PubChem (CID 135529798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).