ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate

C28H49NO2Si — CID 54047966

IUPACethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(NCCCCCCCCCCCCCC[Si](C)(C)C)cc1
InChIInChI=1S/C28H49NO2Si/c1-5-31-28(30)23-20-26-18-21-27(22-19-26)29-24-16-14-12-10-8-6-7-9-11-13-15-17-25-32(2,3)4/h18-23,29H,5-17,24-25H2,1-4H3
InChIKeyLQWODODFKXMHBM-UHFFFAOYSA-N
MW459.79 g/mol
LogP8.69
Rot. Bonds19

About ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate

ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate (PubChem CID 54047966) has the molecular formula C28H49NO2Si and a molecular weight of 459.79 g/mol. Its IUPAC name is ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate
PubChem CID54047966
Molecular FormulaC28H49NO2Si
Molecular Weight459.79 g/mol
Exact Mass459.35
IUPAC Nameethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(NCCCCCCCCCCCCCC[Si](C)(C)C)cc1
InChIInChI=1S/C28H49NO2Si/c1-5-31-28(30)23-20-26-18-21-27(22-19-26)29-24-16-14-12-10-8-6-7-9-11-13-15-17-25-32(2,3)4/h18-23,29H,5-17,24-25H2,1-4H3
InChIKeyLQWODODFKXMHBM-UHFFFAOYSA-N
XLogP8.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.79
LogP ≤ 58.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[4-(octadec-9-enylamino)phenyl]prop-2-enoate
CID 57184227
ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate
CID 22113287
ethyl 5-[4-(undec-10-enylamino)phenyl]penta-2,4-dienoate
CID 54246822
diethyl 2-[3-[4-(hexadecylamino)phenyl]prop-2-enoyloxy]butanedioate
CID 54494478
ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate
CID 57315143
ethyl 3-[4-[12-(1H-indol-3-yl)dodec-11-enylamino]phenyl]prop-2-enoate
CID 57106401
4-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]oxy-3-hydroxybutanoic acid
CID 70543846
ethyl (E)-3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 66931798
ethyl 3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 58866370
ethyl 6-(4-formylanilino)hexanoate
CID 22448233
ethyl 3-[4-(5-phenylhex-3-enylamino)phenyl]prop-2-enoate
CID 57024577
N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide
CID 57266704

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate (CID 54047966) is ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(NCCCCCCCCCCCCCC[Si](C)(C)C)cc1.
What is the InChIKey of ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate?
The InChIKey is LQWODODFKXMHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49NO2Si/c1-5-31-28(30)23-20-26-18-21-27(22-19-26)29-24-16-14-12-10-8-6-7-9-11-13-15-17-25-32(2,3)4/h18-23,29H,5-17,24-25H2,1-4H3.
What are the key properties of ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate?
ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate has a molecular weight of 459.79 g/mol, XLogP of 8.69, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate is sourced from PubChem (CID 54047966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).