3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide

C22H32N4O6Si2 — CID 23209828

IUPAC3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide
SMILESCO[Si](OC)(OC)[Si](C)(C)OCCNC(=O)C(Cn1nc2ccccc2n1)c1ccc(O)cc1
InChIInChI=1S/C22H32N4O6Si2/c1-29-34(30-2,31-3)33(4,5)32-15-14-23-22(28)19(17-10-12-18(27)13-11-17)16-26-24-20-8-6-7-9-21(20)25-26/h6-13,19,27H,14-16H2,1-5H3,(H,23,28)
InChIKeyUYHQFVSZXKTOFQ-UHFFFAOYSA-N
MW504.69 g/mol
LogP2.22
Rot. Bonds12

About 3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide

3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide (PubChem CID 23209828) has the molecular formula C22H32N4O6Si2 and a molecular weight of 504.69 g/mol. Its IUPAC name is 3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide
PubChem CID23209828
Molecular FormulaC22H32N4O6Si2
Molecular Weight504.69 g/mol
Exact Mass504.19
IUPAC Name3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide
SMILESCO[Si](OC)(OC)[Si](C)(C)OCCNC(=O)C(Cn1nc2ccccc2n1)c1ccc(O)cc1
InChIInChI=1S/C22H32N4O6Si2/c1-29-34(30-2,31-3)33(4,5)32-15-14-23-22(28)19(17-10-12-18(27)13-11-17)16-26-24-20-8-6-7-9-21(20)25-26/h6-13,19,27H,14-16H2,1-5H3,(H,23,28)
InChIKeyUYHQFVSZXKTOFQ-UHFFFAOYSA-N
XLogP2.22
TPSA116.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.69
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide?
The IUPAC name of 3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide (CID 23209828) is 3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide is CO[Si](OC)(OC)[Si](C)(C)OCCNC(=O)C(Cn1nc2ccccc2n1)c1ccc(O)cc1.
What is the InChIKey of 3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide?
The InChIKey is UYHQFVSZXKTOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O6Si2/c1-29-34(30-2,31-3)33(4,5)32-15-14-23-22(28)19(17-10-12-18(27)13-11-17)16-26-24-20-8-6-7-9-21(20)25-26/h6-13,19,27H,14-16H2,1-5H3,(H,23,28).
What are the key properties of 3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide?
3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide has a molecular weight of 504.69 g/mol, XLogP of 2.22, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-2-yl)-N-[2-[dimethyl(trimethoxysilyl)silyl]oxyethyl]-2-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 23209828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).