2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide

C16H35NO7Si2 — CID 14794053

IUPAC2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C16H35NO7Si2/c1-15(2)16(18)17(11-9-13-25(19-3,20-4)21-5)12-10-14-26(22-6,23-7)24-8/h1,9-14H2,2-8H3
InChIKeyVGNMBOBKLDHWRC-UHFFFAOYSA-N
MW409.63 g/mol
LogP1.93
Rot. Bonds15

About 2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide

2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide (PubChem CID 14794053) has the molecular formula C16H35NO7Si2 and a molecular weight of 409.63 g/mol. Its IUPAC name is 2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide
PubChem CID14794053
Molecular FormulaC16H35NO7Si2
Molecular Weight409.63 g/mol
Exact Mass409.20
IUPAC Name2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C16H35NO7Si2/c1-15(2)16(18)17(11-9-13-25(19-3,20-4)21-5)12-10-14-26(22-6,23-7)24-8/h1,9-14H2,2-8H3
InChIKeyVGNMBOBKLDHWRC-UHFFFAOYSA-N
XLogP1.93
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.63
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide?
The IUPAC name of 2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide (CID 14794053) is 2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide is C=C(C)C(=O)N(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.
What is the InChIKey of 2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide?
The InChIKey is VGNMBOBKLDHWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO7Si2/c1-15(2)16(18)17(11-9-13-25(19-3,20-4)21-5)12-10-14-26(22-6,23-7)24-8/h1,9-14H2,2-8H3.
What are the key properties of 2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide?
2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide has a molecular weight of 409.63 g/mol, XLogP of 1.93, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(3-trimethoxysilylpropyl)prop-2-enamide is sourced from PubChem (CID 14794053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).