N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide

C14H30N2O4Si — CID 158029719

IUPACN-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide
SMILESC=CC(=O)NCCC(C)O[Si](CC(C)N)(OCC)OCC
InChIInChI=1S/C14H30N2O4Si/c1-6-14(17)16-10-9-13(5)20-21(18-7-2,19-8-3)11-12(4)15/h6,12-13H,1,7-11,15H2,2-5H3,(H,16,17)
InChIKeyFHAOAWUJYUEJGF-UHFFFAOYSA-N
MW318.49 g/mol
LogP1.44
Rot. Bonds12

About N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide

N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide (PubChem CID 158029719) has the molecular formula C14H30N2O4Si and a molecular weight of 318.49 g/mol. Its IUPAC name is N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide
PubChem CID158029719
Molecular FormulaC14H30N2O4Si
Molecular Weight318.49 g/mol
Exact Mass318.20
IUPAC NameN-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide
SMILESC=CC(=O)NCCC(C)O[Si](CC(C)N)(OCC)OCC
InChIInChI=1S/C14H30N2O4Si/c1-6-14(17)16-10-9-13(5)20-21(18-7-2,19-8-3)11-12(4)15/h6,12-13H,1,7-11,15H2,2-5H3,(H,16,17)
InChIKeyFHAOAWUJYUEJGF-UHFFFAOYSA-N
XLogP1.44
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide
CID 141007708
N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide
CID 159339342
1-triethoxysilylpropan-2-amine
CID 10236113
N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide
CID 139841313
N-(2-aminopropyl)prop-2-enamide
CID 19993421
6-triethoxysilylhexan-2-yl prop-2-enoate
CID 141250716
N-[[ethoxy(dimethyl)silyl]methyl]prop-2-enamide
CID 87936717
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
acetic acid;tris(N-[3-[4-(prop-2-enoylamino)butan-2-ylamino]butyl]prop-2-enamide)
CID 173123215
2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87097476
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
2-tri(butan-2-yloxy)silylethyl prop-2-enoate
CID 142675129

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide?
The IUPAC name of N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide (CID 158029719) is N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide.
What is the SMILES notation for N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide?
The canonical SMILES for N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide is C=CC(=O)NCCC(C)O[Si](CC(C)N)(OCC)OCC.
What is the InChIKey of N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide?
The InChIKey is FHAOAWUJYUEJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4Si/c1-6-14(17)16-10-9-13(5)20-21(18-7-2,19-8-3)11-12(4)15/h6,12-13H,1,7-11,15H2,2-5H3,(H,16,17).
What are the key properties of N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide?
N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide has a molecular weight of 318.49 g/mol, XLogP of 1.44, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide is sourced from PubChem (CID 158029719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).