N-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide

C14H29NO3Si — CID 152696796

IUPACN-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCC[SiH2]CC(OCC)OCC
InChIInChI=1S/C14H29NO3Si/c1-5-17-13(18-6-2)11-19-10-8-7-9-15-14(16)12(3)4/h13H,3,5-11,19H2,1-2,4H3,(H,15,16)
InChIKeyZQSRFQLIAFHNSQ-UHFFFAOYSA-N
MW287.48 g/mol
LogP1.86
Rot. Bonds12

About N-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide

N-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide (PubChem CID 152696796) has the molecular formula C14H29NO3Si and a molecular weight of 287.48 g/mol. Its IUPAC name is N-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide
PubChem CID152696796
Molecular FormulaC14H29NO3Si
Molecular Weight287.48 g/mol
Exact Mass287.19
IUPAC NameN-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCC[SiH2]CC(OCC)OCC
InChIInChI=1S/C14H29NO3Si/c1-5-17-13(18-6-2)11-19-10-8-7-9-15-14(16)12(3)4/h13H,3,5-11,19H2,1-2,4H3,(H,15,16)
InChIKeyZQSRFQLIAFHNSQ-UHFFFAOYSA-N
XLogP1.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-icosyl-2-methylprop-2-enamide
CID 22336363
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
3-(2,2-diethoxyethylsilyl)-N-methylpropan-1-amine
CID 154465129
N-(3-methoxysilylpropyl)-2-methylprop-2-enamide
CID 123275460
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-[8-[diethoxy(methyl)silyl]octyl]-2-methylprop-2-enamide
CID 169083674
2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide
CID 58330356
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide (CID 152696796) is N-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCC[SiH2]CC(OCC)OCC.
What is the InChIKey of N-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide?
The InChIKey is ZQSRFQLIAFHNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3Si/c1-5-17-13(18-6-2)11-19-10-8-7-9-15-14(16)12(3)4/h13H,3,5-11,19H2,1-2,4H3,(H,15,16).
What are the key properties of N-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide?
N-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide has a molecular weight of 287.48 g/mol, XLogP of 1.86, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-diethoxyethylsilyl)butyl]-2-methylprop-2-enamide is sourced from PubChem (CID 152696796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).