N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide

C25H47NO4Si — CID 174145593

IUPACN-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCCCCCC[Si](C)(OCC)OCC)C(=O)C(=C)C
InChIInChI=1S/C25H47NO4Si/c1-8-29-31(7,30-9-2)21-19-17-15-13-11-10-12-14-16-18-20-26(24(27)22(3)4)25(28)23(5)6/h3,5,8-21H2,1-2,4,6-7H3
InChIKeyRCSBHYRBQIKGPU-UHFFFAOYSA-N
MW453.74 g/mol
LogP6.54
Rot. Bonds19

About N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide

N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide (PubChem CID 174145593) has the molecular formula C25H47NO4Si and a molecular weight of 453.74 g/mol. Its IUPAC name is N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide.

Molecular Properties

Compound NameN-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
PubChem CID174145593
Molecular FormulaC25H47NO4Si
Molecular Weight453.74 g/mol
Exact Mass453.33
IUPAC NameN-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCCCCCC[Si](C)(OCC)OCC)C(=O)C(=C)C
InChIInChI=1S/C25H47NO4Si/c1-8-29-31(7,30-9-2)21-19-17-15-13-11-10-12-14-16-18-20-26(24(27)22(3)4)25(28)23(5)6/h3,5,8-21H2,1-2,4,6-7H3
InChIKeyRCSBHYRBQIKGPU-UHFFFAOYSA-N
XLogP6.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.74
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[diethoxy(methyl)silyl]propyl]-N,2-dimethylprop-2-enamide
CID 139724660
2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide
CID 174145597
N-[8-[diethoxy(methyl)silyl]octyl]-2-methylprop-2-enamide
CID 169083674
4-[diethoxy(methyl)silyl]-N,N-bis(trimethylsilyl)butan-1-amine
CID 87559726
3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;tetraethyl silicate
CID 87080022
diethoxy-methyl-undecylsilane
CID 140884401
2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide
CID 58330356
1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one
CID 87593412
tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate
CID 102248472
11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567348
bis[3-[diethoxy(methyl)silyl]propyl] carbonate
CID 54561598
ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate
CID 22065744

Frequently Asked Questions

What is the IUPAC name of N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The IUPAC name of N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide (CID 174145593) is N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide.
What is the SMILES notation for N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The canonical SMILES for N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide is C=C(C)C(=O)N(CCCCCCCCCCCC[Si](C)(OCC)OCC)C(=O)C(=C)C.
What is the InChIKey of N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The InChIKey is RCSBHYRBQIKGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47NO4Si/c1-8-29-31(7,30-9-2)21-19-17-15-13-11-10-12-14-16-18-20-26(24(27)22(3)4)25(28)23(5)6/h3,5,8-21H2,1-2,4,6-7H3.
What are the key properties of N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide has a molecular weight of 453.74 g/mol, XLogP of 6.54, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide is sourced from PubChem (CID 174145593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).