N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide

C18H29NO3Si — CID 19758115

IUPACN-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCC[Si](OCC)(OCC)c1ccccc1
InChIInChI=1S/C18H29NO3Si/c1-6-21-23(22-7-2,17-12-9-8-10-13-17)15-11-14-19(5)18(20)16(3)4/h8-10,12-13H,3,6-7,11,14-15H2,1-2,4-5H3
InChIKeyRSAPPKQOTSLNET-UHFFFAOYSA-N
MW335.52 g/mol
LogP2.83
Rot. Bonds10

About N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide

N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide (PubChem CID 19758115) has the molecular formula C18H29NO3Si and a molecular weight of 335.52 g/mol. Its IUPAC name is N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide
PubChem CID19758115
Molecular FormulaC18H29NO3Si
Molecular Weight335.52 g/mol
Exact Mass335.19
IUPAC NameN-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCC[Si](OCC)(OCC)c1ccccc1
InChIInChI=1S/C18H29NO3Si/c1-6-21-23(22-7-2,17-12-9-8-10-13-17)15-11-14-19(5)18(20)16(3)4/h8-10,12-13H,3,6-7,11,14-15H2,1-2,4-5H3
InChIKeyRSAPPKQOTSLNET-UHFFFAOYSA-N
XLogP2.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.83
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide?
The IUPAC name of N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide (CID 19758115) is N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)CCC[Si](OCC)(OCC)c1ccccc1.
What is the InChIKey of N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide?
The InChIKey is RSAPPKQOTSLNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3Si/c1-6-21-23(22-7-2,17-12-9-8-10-13-17)15-11-14-19(5)18(20)16(3)4/h8-10,12-13H,3,6-7,11,14-15H2,1-2,4-5H3.
What are the key properties of N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide?
N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide has a molecular weight of 335.52 g/mol, XLogP of 2.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[diethoxy(phenyl)silyl]propyl]-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 19758115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).