4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide

C11H22Cl3NO5Si — CID 142604452

IUPAC4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide
SMILESCO[Si](CCCNC(=O)CC(C)(O)C(Cl)(Cl)Cl)(OC)OC
InChIInChI=1S/C11H22Cl3NO5Si/c1-10(17,11(12,13)14)8-9(16)15-6-5-7-21(18-2,19-3)20-4/h17H,5-8H2,1-4H3,(H,15,16)
InChIKeyBSXHEVJNFVMGHG-UHFFFAOYSA-N
MW382.74 g/mol
LogP1.88
Rot. Bonds9

About 4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide

4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide (PubChem CID 142604452) has the molecular formula C11H22Cl3NO5Si and a molecular weight of 382.74 g/mol. Its IUPAC name is 4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide.

Molecular Properties

Compound Name4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide
PubChem CID142604452
Molecular FormulaC11H22Cl3NO5Si
Molecular Weight382.74 g/mol
Exact Mass381.03
IUPAC Name4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide
SMILESCO[Si](CCCNC(=O)CC(C)(O)C(Cl)(Cl)Cl)(OC)OC
InChIInChI=1S/C11H22Cl3NO5Si/c1-10(17,11(12,13)14)8-9(16)15-6-5-7-21(18-2,19-3)20-4/h17H,5-8H2,1-4H3,(H,15,16)
InChIKeyBSXHEVJNFVMGHG-UHFFFAOYSA-N
XLogP1.88
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.74
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(3-trimethoxysilylpropyl)acetamide
CID 102479159
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
2-acetamido-N-(3-trimethoxysilylpropyl)acetamide
CID 87064791
2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide
CID 140721019
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea
CID 58846540
N-(3-trimethoxysilylpropyl)octanamide
CID 71362207
N-(3-trimethoxysilylpropyl)tricosanamide
CID 175992989
3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide
CID 58903441
N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide
CID 174034549
4-trimethoxysilylbutylcarbamic acid
CID 18755644
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide
CID 15072327

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide?
The IUPAC name of 4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide (CID 142604452) is 4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide.
What is the SMILES notation for 4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide?
The canonical SMILES for 4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide is CO[Si](CCCNC(=O)CC(C)(O)C(Cl)(Cl)Cl)(OC)OC.
What is the InChIKey of 4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide?
The InChIKey is BSXHEVJNFVMGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Cl3NO5Si/c1-10(17,11(12,13)14)8-9(16)15-6-5-7-21(18-2,19-3)20-4/h17H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide?
4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide has a molecular weight of 382.74 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide is sourced from PubChem (CID 142604452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).