ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate

C24H24NO2P — CID 101408691

IUPACethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/N=P(C)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24NO2P/c1-3-27-24(26)19-23(20-13-7-4-8-14-20)25-28(2,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/b23-19+
InChIKeyASVZRRKZBKNDOW-FCDQGJHFSA-N
MW389.44 g/mol
LogP5.07
Rot. Bonds6

About ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate

ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate (PubChem CID 101408691) has the molecular formula C24H24NO2P and a molecular weight of 389.44 g/mol. Its IUPAC name is ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate
PubChem CID101408691
Molecular FormulaC24H24NO2P
Molecular Weight389.44 g/mol
Exact Mass389.15
IUPAC Nameethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/N=P(C)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24NO2P/c1-3-27-24(26)19-23(20-13-7-4-8-14-20)25-28(2,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/b23-19+
InChIKeyASVZRRKZBKNDOW-FCDQGJHFSA-N
XLogP5.07
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-(ethylideneamino)-3-phenylprop-2-enoate
CID 178079590
ethyl (E)-3-[bis(dimethylamino)methylideneamino]-3-phenylprop-2-enoate
CID 135034117
ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate
CID 11471690
ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
ethyl 3-(methylamino)-3-phenylprop-2-enoate
CID 58005139
diethyl (Z)-2-benzoylbut-2-enedioate
CID 12750314
ethyl 2-deuterio-2-(triphenyl-lambda5-phosphanylidene)acetate
CID 15619264
triethyl (1Z,3E)-3-phenylbuta-1,3-diene-1,2,4-tricarboxylate
CID 102274076
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate
CID 101412880

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate?
The IUPAC name of ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate (CID 101408691) is ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate is CCOC(=O)/C=C(/N=P(C)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate?
The InChIKey is ASVZRRKZBKNDOW-FCDQGJHFSA-N. The full InChI is InChI=1S/C24H24NO2P/c1-3-27-24(26)19-23(20-13-7-4-8-14-20)25-28(2,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/b23-19+.
What are the key properties of ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate?
ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate has a molecular weight of 389.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[[methyl(diphenyl)-λ5-phosphanylidene]amino]-3-phenylprop-2-enoate is sourced from PubChem (CID 101408691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).