N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide

C13H27NO4Si — CID 141007708

IUPACN-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCC[Si](OCC)(OCC)OC(C)C
InChIInChI=1S/C13H27NO4Si/c1-6-13(15)14-10-9-11-19(16-7-2,17-8-3)18-12(4)5/h6,12H,1,7-11H2,2-5H3,(H,14,15)
InChIKeyOZTWSMIOQWKZQZ-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.12
Rot. Bonds11

About N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide

N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide (PubChem CID 141007708) has the molecular formula C13H27NO4Si and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide
PubChem CID141007708
Molecular FormulaC13H27NO4Si
Molecular Weight289.45 g/mol
Exact Mass289.17
IUPAC NameN-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCC[Si](OCC)(OCC)OC(C)C
InChIInChI=1S/C13H27NO4Si/c1-6-13(15)14-10-9-11-19(16-7-2,17-8-3)18-12(4)5/h6,12H,1,7-11H2,2-5H3,(H,14,15)
InChIKeyOZTWSMIOQWKZQZ-UHFFFAOYSA-N
XLogP2.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
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'}

Analyze N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide
CID 139841313
diethoxy-ethyl-methylsilane;ethenyl-tri(propan-2-yloxy)silane;N-(3-triethoxysilylpropyl)prop-2-enamide;3-tri(propan-2-yloxy)silylpropyl 2-methylprop-2-enoate
CID 162261905
N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide
CID 158029719
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
N-(4-propan-2-yloxybutyl)prop-2-enamide
CID 59532945
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
N-[3-[dimethoxy(methyl)silyl]propyl]prop-2-enamide
CID 23152140
N-butylprop-2-enamide;hydrofluoride
CID 174533496
1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate
CID 175153550
1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea
CID 170548768
3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium
CID 162769514

Frequently Asked Questions

What is the IUPAC name of N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide?
The IUPAC name of N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide (CID 141007708) is N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide is C=CC(=O)NCCC[Si](OCC)(OCC)OC(C)C.
What is the InChIKey of N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide?
The InChIKey is OZTWSMIOQWKZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4Si/c1-6-13(15)14-10-9-11-19(16-7-2,17-8-3)18-12(4)5/h6,12H,1,7-11H2,2-5H3,(H,14,15).
What are the key properties of N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide?
N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide has a molecular weight of 289.45 g/mol, XLogP of 2.12, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide is sourced from PubChem (CID 141007708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).