[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate

C18H32N2O4Si — CID 178172851

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate
SMILESCN(CCc1ccccn1)C(=O)OCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32N2O4Si/c1-18(2,3)25(5,6)24-14-16(21)13-23-17(22)20(4)12-10-15-9-7-8-11-19-15/h7-9,11,16,21H,10,12-14H2,1-6H3
InChIKeyOVLWKOQBJPTRLN-UHFFFAOYSA-N
MW368.55 g/mol
LogP3.08
Rot. Bonds8

About [3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate

[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate (PubChem CID 178172851) has the molecular formula C18H32N2O4Si and a molecular weight of 368.55 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate
PubChem CID178172851
Molecular FormulaC18H32N2O4Si
Molecular Weight368.55 g/mol
Exact Mass368.21
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate
SMILESCN(CCc1ccccn1)C(=O)OCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32N2O4Si/c1-18(2,3)25(5,6)24-14-16(21)13-23-17(22)20(4)12-10-15-9-7-8-11-19-15/h7-9,11,16,21H,10,12-14H2,1-6H3
InChIKeyOVLWKOQBJPTRLN-UHFFFAOYSA-N
XLogP3.08
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
[3-hydroxy-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]oxypropyl] N-[2-(3,4-dihydropyridin-6-yl)ethyl]-N-methylcarbamate
CID 178172646
ethyl 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]-3-phenylbutanoate
CID 15018148
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76919338
methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate
CID 115187986
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
CID 61196298
3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide
CID 115185783

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate (CID 178172851) is [3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate is CN(CCc1ccccn1)C(=O)OCC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate?
The InChIKey is OVLWKOQBJPTRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4Si/c1-18(2,3)25(5,6)24-14-16(21)13-23-17(22)20(4)12-10-15-9-7-8-11-19-15/h7-9,11,16,21H,10,12-14H2,1-6H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate?
[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate has a molecular weight of 368.55 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] N-methyl-N-(2-pyridin-2-ylethyl)carbamate is sourced from PubChem (CID 178172851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).