2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide

C28H64N2O7Si6 — CID 87119608

IUPAC2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](CCCCNC(=O)C(=C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C28H64N2O7Si6/c1-25(2)27(31)29-21-17-19-23-42(33-38(5,6)7,34-39(8,9)10)37-43(35-40(11,12)13,36-41(14,15)16)24-20-18-22-30-28(32)26(3)4/h1,3,17-24H2,2,4-16H3,(H,29,31)(H,30,32)
InChIKeyXIKNMNBQYKMHAN-UHFFFAOYSA-N
MW709.34 g/mol
LogP7.23
Rot. Bonds22

About 2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide

2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide (PubChem CID 87119608) has the molecular formula C28H64N2O7Si6 and a molecular weight of 709.34 g/mol. Its IUPAC name is 2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide
PubChem CID87119608
Molecular FormulaC28H64N2O7Si6
Molecular Weight709.34 g/mol
Exact Mass708.33
IUPAC Name2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](CCCCNC(=O)C(=C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C28H64N2O7Si6/c1-25(2)27(31)29-21-17-19-23-42(33-38(5,6)7,34-39(8,9)10)37-43(35-40(11,12)13,36-41(14,15)16)24-20-18-22-30-28(32)26(3)4/h1,3,17-24H2,2,4-16H3,(H,29,31)(H,30,32)
InChIKeyXIKNMNBQYKMHAN-UHFFFAOYSA-N
XLogP7.23
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.34
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-[3-[[dimethyl(propyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide
CID 54350346
2-methyl-N-[3-tris[[ethyl(dimethyl)silyl]oxy]silylpropyl]prop-2-enamide
CID 54537406
2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide
CID 58330356
N-[8-[hydroxy(dimethyl)silyl]octyl]-2-methylprop-2-enamide
CID 162481107
N-[8-[diethoxy(methyl)silyl]octyl]-2-methylprop-2-enamide
CID 169083674
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide
CID 157309870
N-(4-dimethoxysilylbutyl)-2-methylprop-2-enamide
CID 173192018
2-methyl-N-[4-silyl-4,4-bis(trimethylsilyloxy)butyl]prop-2-enamide
CID 173466192
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide (CID 87119608) is 2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide is C=C(C)C(=O)NCCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](CCCCNC(=O)C(=C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide?
The InChIKey is XIKNMNBQYKMHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H64N2O7Si6/c1-25(2)27(31)29-21-17-19-23-42(33-38(5,6)7,34-39(8,9)10)37-43(35-40(11,12)13,36-41(14,15)16)24-20-18-22-30-28(32)26(3)4/h1,3,17-24H2,2,4-16H3,(H,29,31)(H,30,32).
What are the key properties of 2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide?
2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide has a molecular weight of 709.34 g/mol, XLogP of 7.23, 22 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide is sourced from PubChem (CID 87119608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).