N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide

C14H30N2O4Si — CID 159339342

IUPACN-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(CC)O[Si](CC(C)N)(OCC)OCC
InChIInChI=1S/C14H30N2O4Si/c1-7-13(17)16-14(6,8-2)20-21(18-9-3,19-10-4)11-12(5)15/h7,12H,1,8-11,15H2,2-6H3,(H,16,17)
InChIKeyLFYDIPSRQOIPPC-UHFFFAOYSA-N
MW318.49 g/mol
LogP1.79
Rot. Bonds11

About N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide

N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide (PubChem CID 159339342) has the molecular formula C14H30N2O4Si and a molecular weight of 318.49 g/mol. Its IUPAC name is N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide
PubChem CID159339342
Molecular FormulaC14H30N2O4Si
Molecular Weight318.49 g/mol
Exact Mass318.20
IUPAC NameN-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(CC)O[Si](CC(C)N)(OCC)OCC
InChIInChI=1S/C14H30N2O4Si/c1-7-13(17)16-14(6,8-2)20-21(18-9-3,19-10-4)11-12(5)15/h7,12H,1,8-11,15H2,2-6H3,(H,16,17)
InChIKeyLFYDIPSRQOIPPC-UHFFFAOYSA-N
XLogP1.79
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]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-[2-aminopropyl(diethoxy)silyl]oxybutyl]prop-2-enamide
CID 158029719
N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide
CID 58085096
2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-amine
CID 174459396
1-triethoxysilylpropan-2-amine
CID 10236113
2-(prop-2-enoylamino)butan-2-yl hydrogen sulfate
CID 151282656
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide
CID 141007708
N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide
CID 88844465
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate
CID 172786041
N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide
CID 63887567
2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate
CID 154370953

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide?
The IUPAC name of N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide (CID 159339342) is N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide?
The canonical SMILES for N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide is C=CC(=O)NC(C)(CC)O[Si](CC(C)N)(OCC)OCC.
What is the InChIKey of N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide?
The InChIKey is LFYDIPSRQOIPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4Si/c1-7-13(17)16-14(6,8-2)20-21(18-9-3,19-10-4)11-12(5)15/h7,12H,1,8-11,15H2,2-6H3,(H,16,17).
What are the key properties of N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide?
N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide has a molecular weight of 318.49 g/mol, XLogP of 1.79, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminopropyl(diethoxy)silyl]oxybutan-2-yl]prop-2-enamide is sourced from PubChem (CID 159339342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).