N-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide

C9H21NO4Si — CID 57118273

IUPACN-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide
SMILESCCO[Si](O)(OCC)C(C)NC(=O)CC
InChIInChI=1S/C9H21NO4Si/c1-5-9(11)10-8(4)15(12,13-6-2)14-7-3/h8,12H,5-7H2,1-4H3,(H,10,11)
InChIKeyCCBRFRGJQOAETO-UHFFFAOYSA-N
MW235.36 g/mol
LogP0.44
Rot. Bonds7

About N-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide

N-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide (PubChem CID 57118273) has the molecular formula C9H21NO4Si and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide
PubChem CID57118273
Molecular FormulaC9H21NO4Si
Molecular Weight235.36 g/mol
Exact Mass235.12
IUPAC NameN-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide
SMILESCCO[Si](O)(OCC)C(C)NC(=O)CC
InChIInChI=1S/C9H21NO4Si/c1-5-9(11)10-8(4)15(12,13-6-2)14-7-3/h8,12H,5-7H2,1-4H3,(H,10,11)
InChIKeyCCBRFRGJQOAETO-UHFFFAOYSA-N
XLogP0.44
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide?
The IUPAC name of N-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide (CID 57118273) is N-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide.
What is the SMILES notation for N-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide?
The canonical SMILES for N-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide is CCO[Si](O)(OCC)C(C)NC(=O)CC.
What is the InChIKey of N-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide?
The InChIKey is CCBRFRGJQOAETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4Si/c1-5-9(11)10-8(4)15(12,13-6-2)14-7-3/h8,12H,5-7H2,1-4H3,(H,10,11).
What are the key properties of N-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide?
N-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide has a molecular weight of 235.36 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[diethoxy(hydroxy)silyl]ethyl]propanamide is sourced from PubChem (CID 57118273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).