[3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate

C16H33NO7Si — CID 163473866

IUPAC[3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate
SMILESCCCCN(C)C(=O)C(O)COC(=O)CCCC[Si](OC)(OC)OC
InChIInChI=1S/C16H33NO7Si/c1-6-7-11-17(2)16(20)14(18)13-24-15(19)10-8-9-12-25(21-3,22-4)23-5/h14,18H,6-13H2,1-5H3
InChIKeyOVEHFYFOFYTQDA-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.20
Rot. Bonds14

About [3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate

[3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate (PubChem CID 163473866) has the molecular formula C16H33NO7Si and a molecular weight of 379.53 g/mol. Its IUPAC name is [3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate.

Molecular Properties

Compound Name[3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate
PubChem CID163473866
Molecular FormulaC16H33NO7Si
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name[3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate
SMILESCCCCN(C)C(=O)C(O)COC(=O)CCCC[Si](OC)(OC)OC
InChIInChI=1S/C16H33NO7Si/c1-6-7-11-17(2)16(20)14(18)13-24-15(19)10-8-9-12-25(21-3,22-4)23-5/h14,18H,6-13H2,1-5H3
InChIKeyOVEHFYFOFYTQDA-UHFFFAOYSA-N
XLogP1.20
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-hydroxy-N-methyl-N-pentylpropanamide
CID 115180815
(hexyl-methoxy-octadecanoyloxysilyl) octadecanoate
CID 175034042
(decyl-methoxy-octadecanoyloxysilyl) octadecanoate
CID 175034146
(3-butoxy-2-hydroxy-3-oxopropyl) 5-trimethoxysilylpentanoate;1-(1-butoxypropan-2-yloxy)propan-2-yl 3-hydroxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propanoate;[3-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate;butyl 2-[butyl(3-trimethoxysilylpropyl)carbamoyl]oxy-3-hydroxypropanoate;butyl 3-[butyl(3-trimethoxysilylpropyl)carbamoyl]oxy-2-hydroxypropanoate;butyl 3-hydroxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propanoate;[1-[butyl(methyl)amino]-3-hydroxy-1-oxopropan-2-yl] N-butylcarbamate;[3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate;[3-(2-ethylhexoxy)-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate;2-ethylhexyl 3-hydroxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propanoate;methane
CID 163473863
propyl 4-trimethoxysilylbutanoate
CID 174313237
2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 71445465
2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate
CID 162060227
[(2R)-2-hydroxy-3-octanoyloxypropyl] pentadecanoate
CID 131799748
[(2S)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131802658
(3-heptadecanoyloxy-2-hydroxypropyl) heptadecanoate
CID 19753453
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] heptadecanoate
CID 131800092
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] tetracosanoate
CID 131801713

Frequently Asked Questions

What is the IUPAC name of [3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate?
The IUPAC name of [3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate (CID 163473866) is [3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate.
What is the SMILES notation for [3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate?
The canonical SMILES for [3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate is CCCCN(C)C(=O)C(O)COC(=O)CCCC[Si](OC)(OC)OC.
What is the InChIKey of [3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate?
The InChIKey is OVEHFYFOFYTQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO7Si/c1-6-7-11-17(2)16(20)14(18)13-24-15(19)10-8-9-12-25(21-3,22-4)23-5/h14,18H,6-13H2,1-5H3.
What are the key properties of [3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate?
[3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate has a molecular weight of 379.53 g/mol, XLogP of 1.20, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate is sourced from PubChem (CID 163473866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).