2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide

C15H27NO5Si — CID 174145597

IUPAC2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCCC[Si](OC)(OC)OC)C(=O)C(=C)C
InChIInChI=1S/C15H27NO5Si/c1-12(2)14(17)16(15(18)13(3)4)10-8-9-11-22(19-5,20-6)21-7/h1,3,8-11H2,2,4-7H3
InChIKeyURQSFRWHNRUDGB-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.15
Rot. Bonds10

About 2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide

2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide (PubChem CID 174145597) has the molecular formula C15H27NO5Si and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide
PubChem CID174145597
Molecular FormulaC15H27NO5Si
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCCC[Si](OC)(OC)OC)C(=O)C(=C)C
InChIInChI=1S/C15H27NO5Si/c1-12(2)14(17)16(15(18)13(3)4)10-8-9-11-22(19-5,20-6)21-7/h1,3,8-11H2,2,4-7H3
InChIKeyURQSFRWHNRUDGB-UHFFFAOYSA-N
XLogP2.15
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 174145593
2-methyl-12-trimethoxysilyldodec-1-en-3-one
CID 176884271
[butyl(dimethoxy)silyl] 2-methylprop-2-enoate
CID 87481263
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate
CID 102248472
N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
CID 58288610
CID 131883983
CID 131883983
N-methanidyl-4-trimethoxysilyl-N-(4-trimethoxysilylbutyl)butanamide;rutherfordium
CID 162463989
1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one
CID 175561104
N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
CID 144598404
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide (CID 174145597) is 2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide is C=C(C)C(=O)N(CCCC[Si](OC)(OC)OC)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide?
The InChIKey is URQSFRWHNRUDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5Si/c1-12(2)14(17)16(15(18)13(3)4)10-8-9-11-22(19-5,20-6)21-7/h1,3,8-11H2,2,4-7H3.
What are the key properties of 2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide?
2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide has a molecular weight of 329.47 g/mol, XLogP of 2.15, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide is sourced from PubChem (CID 174145597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).