N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide

C13H27NO3Si — CID 139655138

IUPACN-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C[Si](CC(C)C)(OC)OC
InChIInChI=1S/C13H27NO3Si/c1-10(2)8-18(16-6,17-7)9-12(5)14-13(15)11(3)4/h10,12H,3,8-9H2,1-2,4-7H3,(H,14,15)
InChIKeyOLQDAULRPOKXMW-UHFFFAOYSA-N
MW273.45 g/mol
LogP2.46
Rot. Bonds8

About N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide

N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide (PubChem CID 139655138) has the molecular formula C13H27NO3Si and a molecular weight of 273.45 g/mol. Its IUPAC name is N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide
PubChem CID139655138
Molecular FormulaC13H27NO3Si
Molecular Weight273.45 g/mol
Exact Mass273.18
IUPAC NameN-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C[Si](CC(C)C)(OC)OC
InChIInChI=1S/C13H27NO3Si/c1-10(2)8-18(16-6,17-7)9-12(5)14-13(15)11(3)4/h10,12H,3,8-9H2,1-2,4-7H3,(H,14,15)
InChIKeyOLQDAULRPOKXMW-UHFFFAOYSA-N
XLogP2.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
2-methyl-N-octan-2-ylprop-2-enamide
CID 54184108
2-methyl-N-tetradecan-2-ylprop-2-enamide
CID 91551786
triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943537
N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide
CID 54452734
N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide
CID 89088589
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956
N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide
CID 139973186
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
CID 88801162
ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate
CID 139839908
[3-methyl-2-(2-methylprop-2-enoylamino)butyl] 2-methylprop-2-enoate
CID 101442825

Frequently Asked Questions

What is the IUPAC name of N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide (CID 139655138) is N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)C[Si](CC(C)C)(OC)OC.
What is the InChIKey of N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide?
The InChIKey is OLQDAULRPOKXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3Si/c1-10(2)8-18(16-6,17-7)9-12(5)14-13(15)11(3)4/h10,12H,3,8-9H2,1-2,4-7H3,(H,14,15).
What are the key properties of N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide?
N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide has a molecular weight of 273.45 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[dimethoxy(2-methylpropyl)silyl]propan-2-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 139655138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).