3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate

C24H40N2O4Si — CID 154000557

IUPAC3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate
SMILESC=CN(CCNCCCCO[Si](C)(CCCOC(=O)C(=C)C)OC)Cc1ccccc1
InChIInChI=1S/C24H40N2O4Si/c1-6-26(21-23-13-8-7-9-14-23)17-16-25-15-10-11-19-30-31(5,28-4)20-12-18-29-24(27)22(2)3/h6-9,13-14,25H,1-2,10-12,15-21H2,3-5H3
InChIKeyQSNWCSWCMIQLER-UHFFFAOYSA-N
MW448.68 g/mol
LogP4.25
Rot. Bonds18

About 3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate

3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate (PubChem CID 154000557) has the molecular formula C24H40N2O4Si and a molecular weight of 448.68 g/mol. Its IUPAC name is 3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate
PubChem CID154000557
Molecular FormulaC24H40N2O4Si
Molecular Weight448.68 g/mol
Exact Mass448.28
IUPAC Name3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate
SMILESC=CN(CCNCCCCO[Si](C)(CCCOC(=O)C(=C)C)OC)Cc1ccccc1
InChIInChI=1S/C24H40N2O4Si/c1-6-26(21-23-13-8-7-9-14-23)17-16-25-15-10-11-19-30-31(5,28-4)20-12-18-29-24(27)22(2)3/h6-9,13-14,25H,1-2,10-12,15-21H2,3-5H3
InChIKeyQSNWCSWCMIQLER-UHFFFAOYSA-N
XLogP4.25
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.68
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol
CID 174815417
4-[benzyl(dimethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977884
N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride
CID 141259839
1,2-bis(ethenyl)benzene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 175495096
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
CID 175978198
CID 175978198
3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;3-[methoxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 87862843
11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567348
3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 54512859
3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate
CID 66675453
[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate
CID 88604956
4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977927

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate (CID 154000557) is 3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate is C=CN(CCNCCCCO[Si](C)(CCCOC(=O)C(=C)C)OC)Cc1ccccc1.
What is the InChIKey of 3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate?
The InChIKey is QSNWCSWCMIQLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O4Si/c1-6-26(21-23-13-8-7-9-14-23)17-16-25-15-10-11-19-30-31(5,28-4)20-12-18-29-24(27)22(2)3/h6-9,13-14,25H,1-2,10-12,15-21H2,3-5H3.
What are the key properties of 3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate?
3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate has a molecular weight of 448.68 g/mol, XLogP of 4.25, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 154000557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).