2-methyl-N-(3-tripropoxysilylpropyl)butanamide

C17H37NO4Si — CID 58520012

IUPAC2-methyl-N-(3-tripropoxysilylpropyl)butanamide
SMILESCCCO[Si](CCCNC(=O)C(C)CC)(OCCC)OCCC
InChIInChI=1S/C17H37NO4Si/c1-6-12-20-23(21-13-7-2,22-14-8-3)15-10-11-18-17(19)16(5)9-4/h16H,6-15H2,1-5H3,(H,18,19)
InChIKeyVNOKOCSJVBREMT-UHFFFAOYSA-N
MW347.57 g/mol
LogP3.76
Rot. Bonds15

About 2-methyl-N-(3-tripropoxysilylpropyl)butanamide

2-methyl-N-(3-tripropoxysilylpropyl)butanamide (PubChem CID 58520012) has the molecular formula C17H37NO4Si and a molecular weight of 347.57 g/mol. Its IUPAC name is 2-methyl-N-(3-tripropoxysilylpropyl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(3-tripropoxysilylpropyl)butanamide
PubChem CID58520012
Molecular FormulaC17H37NO4Si
Molecular Weight347.57 g/mol
Exact Mass347.25
IUPAC Name2-methyl-N-(3-tripropoxysilylpropyl)butanamide
SMILESCCCO[Si](CCCNC(=O)C(C)CC)(OCCC)OCCC
InChIInChI=1S/C17H37NO4Si/c1-6-12-20-23(21-13-7-2,22-14-8-3)15-10-11-18-17(19)16(5)9-4/h16H,6-15H2,1-5H3,(H,18,19)
InChIKeyVNOKOCSJVBREMT-UHFFFAOYSA-N
XLogP3.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.57
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(4-tripropoxysilylbutyl)urea
CID 170548769
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
[2-(2-methylbutanoyloxy)ethylamino]oxy sulfite;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-[3-tri(propan-2-yloxy)silylpropyl]butanamide;propyl 2-methylbutanoate
CID 157237913
3-tripropoxysilylpropan-1-ol
CID 19080799
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
4-tripropoxysilylbutan-1-ol
CID 18780457
N-(5-chloropentyl)-2-methylbutanamide
CID 107321428
N-(6-chlorohexyl)-2-methylbutanamide
CID 107846649
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
hexadecyl(tripropoxy)silane
CID 22228651
icosyl(tripropoxy)silane
CID 141079291

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-tripropoxysilylpropyl)butanamide?
The IUPAC name of 2-methyl-N-(3-tripropoxysilylpropyl)butanamide (CID 58520012) is 2-methyl-N-(3-tripropoxysilylpropyl)butanamide.
What is the SMILES notation for 2-methyl-N-(3-tripropoxysilylpropyl)butanamide?
The canonical SMILES for 2-methyl-N-(3-tripropoxysilylpropyl)butanamide is CCCO[Si](CCCNC(=O)C(C)CC)(OCCC)OCCC.
What is the InChIKey of 2-methyl-N-(3-tripropoxysilylpropyl)butanamide?
The InChIKey is VNOKOCSJVBREMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO4Si/c1-6-12-20-23(21-13-7-2,22-14-8-3)15-10-11-18-17(19)16(5)9-4/h16H,6-15H2,1-5H3,(H,18,19).
What are the key properties of 2-methyl-N-(3-tripropoxysilylpropyl)butanamide?
2-methyl-N-(3-tripropoxysilylpropyl)butanamide has a molecular weight of 347.57 g/mol, XLogP of 3.76, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-tripropoxysilylpropyl)butanamide is sourced from PubChem (CID 58520012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).