N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide

C13H29NO4Si2 — CID 175636430

IUPACN-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(CO)(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C13H29NO4Si2/c1-8-12(16)14-13(9-15,10-17-19(2,3)4)11-18-20(5,6)7/h8,15H,1,9-11H2,2-7H3,(H,14,16)
InChIKeyUQXOUSJGHDRSJA-UHFFFAOYSA-N
MW319.55 g/mol
LogP1.72
Rot. Bonds9

About N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide

N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide (PubChem CID 175636430) has the molecular formula C13H29NO4Si2 and a molecular weight of 319.55 g/mol. Its IUPAC name is N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide
PubChem CID175636430
Molecular FormulaC13H29NO4Si2
Molecular Weight319.55 g/mol
Exact Mass319.16
IUPAC NameN-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(CO)(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C13H29NO4Si2/c1-8-12(16)14-13(9-15,10-17-19(2,3)4)11-18-20(5,6)7/h8,15H,1,9-11H2,2-7H3,(H,14,16)
InChIKeyUQXOUSJGHDRSJA-UHFFFAOYSA-N
XLogP1.72
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.55
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl](113C)prop-2-enamide
CID 10397303
N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide
CID 86215980
N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide
CID 91696802
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
N-[1-hydroxy-2-(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]prop-2-enamide
CID 102533122
bis[2-ethyl-2-(prop-2-enoylamino)butoxy]-oxophosphanium
CID 174815200
N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide
CID 63887567
1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate
CID 22677159
N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide
CID 58085096
sodium 2-(prop-2-enoylamino)propan-2-yl sulfite
CID 141350323
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
N-tert-butylprop-2-enamide;sulfane
CID 158648389

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide?
The IUPAC name of N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide (CID 175636430) is N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide?
The canonical SMILES for N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide is C=CC(=O)NC(CO)(CO[Si](C)(C)C)CO[Si](C)(C)C.
What is the InChIKey of N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide?
The InChIKey is UQXOUSJGHDRSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4Si2/c1-8-12(16)14-13(9-15,10-17-19(2,3)4)11-18-20(5,6)7/h8,15H,1,9-11H2,2-7H3,(H,14,16).
What are the key properties of N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide?
N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide has a molecular weight of 319.55 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 175636430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).