N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide

C18H41NO5Si3 — CID 140853527

IUPACN-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(O)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H41NO5Si3/c1-16(2)18(21)19-12-11-17(20)15-22-13-10-14-27(9,23-25(3,4)5)24-26(6,7)8/h17,20H,1,10-15H2,2-9H3,(H,19,21)
InChIKeyOAWGWAKDMJUOIN-UHFFFAOYSA-N
MW435.79 g/mol
LogP3.61
Rot. Bonds14

About N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide

N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide (PubChem CID 140853527) has the molecular formula C18H41NO5Si3 and a molecular weight of 435.79 g/mol. Its IUPAC name is N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide
PubChem CID140853527
Molecular FormulaC18H41NO5Si3
Molecular Weight435.79 g/mol
Exact Mass435.23
IUPAC NameN-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(O)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H41NO5Si3/c1-16(2)18(21)19-12-11-17(20)15-22-13-10-14-27(9,23-25(3,4)5)24-26(6,7)8/h17,20H,1,10-15H2,2-9H3,(H,19,21)
InChIKeyOAWGWAKDMJUOIN-UHFFFAOYSA-N
XLogP3.61
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.79
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
CID 140749715
3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol
CID 164730273
[1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate
CID 140891427
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
CID 164757725
CID 164757725
2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide
CID 87119608
hexadecyl-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl]-dimethylazanium chloride
CID 131719621
2-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethane-1,1-diol
CID 163679889
N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide
CID 139972989
3-[bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate
CID 18739209
[2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate
CID 58512799
[1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate
CID 21037504

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide (CID 140853527) is N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCC(O)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide?
The InChIKey is OAWGWAKDMJUOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO5Si3/c1-16(2)18(21)19-12-11-17(20)15-22-13-10-14-27(9,23-25(3,4)5)24-26(6,7)8/h17,20H,1,10-15H2,2-9H3,(H,19,21).
What are the key properties of N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide?
N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide has a molecular weight of 435.79 g/mol, XLogP of 3.61, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide is sourced from PubChem (CID 140853527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).