N-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide

C15H29NO3Si — CID 173373078

IUPACN-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C(=O)C(=C)C)C(CCC)[SiH](OCC)OCC
InChIInChI=1S/C15H29NO3Si/c1-7-11-14(20(18-9-3)19-10-4)16(12-8-2)15(17)13(5)6/h8,14,20H,2,5,7,9-12H2,1,3-4,6H3
InChIKeyHOPNOFWESNZNSA-UHFFFAOYSA-N
MW299.49 g/mol
LogP2.58
Rot. Bonds11

About N-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide

N-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide (PubChem CID 173373078) has the molecular formula C15H29NO3Si and a molecular weight of 299.49 g/mol. Its IUPAC name is N-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide
PubChem CID173373078
Molecular FormulaC15H29NO3Si
Molecular Weight299.49 g/mol
Exact Mass299.19
IUPAC NameN-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C(=O)C(=C)C)C(CCC)[SiH](OCC)OCC
InChIInChI=1S/C15H29NO3Si/c1-7-11-14(20(18-9-3)19-10-4)16(12-8-2)15(17)13(5)6/h8,14,20H,2,5,7,9-12H2,1,3-4,6H3
InChIKeyHOPNOFWESNZNSA-UHFFFAOYSA-N
XLogP2.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.49
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide (CID 173373078) is N-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide is C=CCN(C(=O)C(=C)C)C(CCC)[SiH](OCC)OCC.
What is the InChIKey of N-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The InChIKey is HOPNOFWESNZNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3Si/c1-7-11-14(20(18-9-3)19-10-4)16(12-8-2)15(17)13(5)6/h8,14,20H,2,5,7,9-12H2,1,3-4,6H3.
What are the key properties of N-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide?
N-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide has a molecular weight of 299.49 g/mol, XLogP of 2.58, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 173373078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).