ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate

C15H24N2O2Si — CID 23254114

IUPACethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate
SMILESCCOC(=O)C=C(NC[Si](C)(C)C)Nc1ccccc1
InChIInChI=1S/C15H24N2O2Si/c1-5-19-15(18)11-14(16-12-20(2,3)4)17-13-9-7-6-8-10-13/h6-11,16-17H,5,12H2,1-4H3
InChIKeyOVGYQTSSIFQOOC-UHFFFAOYSA-N
MW292.46 g/mol
LogP2.97
Rot. Bonds7

About ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate

ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate (PubChem CID 23254114) has the molecular formula C15H24N2O2Si and a molecular weight of 292.46 g/mol. Its IUPAC name is ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate
PubChem CID23254114
Molecular FormulaC15H24N2O2Si
Molecular Weight292.46 g/mol
Exact Mass292.16
IUPAC Nameethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate
SMILESCCOC(=O)C=C(NC[Si](C)(C)C)Nc1ccccc1
InChIInChI=1S/C15H24N2O2Si/c1-5-19-15(18)11-14(16-12-20(2,3)4)17-13-9-7-6-8-10-13/h6-11,16-17H,5,12H2,1-4H3
InChIKeyOVGYQTSSIFQOOC-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-anilino-3-ethoxyprop-2-enoate
CID 134965234
ethyl (E)-3-[4-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]anilino]but-2-enoate
CID 5379118
ethyl 3-anilino-5-phenylpent-2-enoate
CID 174917860
ethyl 3-anilinodec-2-enoate
CID 68860790
ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate
CID 11120432
ethyl 3-benzyl-4-phenylbut-2-enoate
CID 10850364
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
ethyl 3-[4-(ethoxycarbonylamino)anilino]but-2-enoate
CID 70457432
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
ethyl (Z)-3-methyl-4-phenylbut-2-enoate
CID 14661101
ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate
CID 101412880

Frequently Asked Questions

What is the IUPAC name of ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate?
The IUPAC name of ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate (CID 23254114) is ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate.
What is the SMILES notation for ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate?
The canonical SMILES for ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate is CCOC(=O)C=C(NC[Si](C)(C)C)Nc1ccccc1.
What is the InChIKey of ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate?
The InChIKey is OVGYQTSSIFQOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2Si/c1-5-19-15(18)11-14(16-12-20(2,3)4)17-13-9-7-6-8-10-13/h6-11,16-17H,5,12H2,1-4H3.
What are the key properties of ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate?
ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate has a molecular weight of 292.46 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate is sourced from PubChem (CID 23254114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).