N-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide

C15H29NO3Si — CID 14876445

IUPACN-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCC[Si](C)(OCC)OCC)C(=O)C(=C)C
InChIInChI=1S/C15H29NO3Si/c1-7-11-16(15(17)14(4)5)12-10-13-20(6,18-8-2)19-9-3/h7H,1,4,8-13H2,2-3,5-6H3
InChIKeyKFLRLVLDUILTSC-UHFFFAOYSA-N
MW299.49 g/mol
LogP3.11
Rot. Bonds11

About N-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide

N-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide (PubChem CID 14876445) has the molecular formula C15H29NO3Si and a molecular weight of 299.49 g/mol. Its IUPAC name is N-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide
PubChem CID14876445
Molecular FormulaC15H29NO3Si
Molecular Weight299.49 g/mol
Exact Mass299.19
IUPAC NameN-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCC[Si](C)(OCC)OCC)C(=O)C(=C)C
InChIInChI=1S/C15H29NO3Si/c1-7-11-16(15(17)14(4)5)12-10-13-20(6,18-8-2)19-9-3/h7H,1,4,8-13H2,2-3,5-6H3
InChIKeyKFLRLVLDUILTSC-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide (CID 14876445) is N-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide is C=CCN(CCC[Si](C)(OCC)OCC)C(=O)C(=C)C.
What is the InChIKey of N-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide?
The InChIKey is KFLRLVLDUILTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3Si/c1-7-11-16(15(17)14(4)5)12-10-13-20(6,18-8-2)19-9-3/h7H,1,4,8-13H2,2-3,5-6H3.
What are the key properties of N-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide?
N-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide has a molecular weight of 299.49 g/mol, XLogP of 3.11, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[diethoxy(methyl)silyl]propyl]-2-methyl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 14876445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).