N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide

C16H22N2O3Si — CID 170733961

IUPACN-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide
SMILESC[Si](C)(C)C#Cc1ccc(O)c(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C16H22N2O3Si/c1-22(2,3)11-6-13-4-5-15(19)14(12-13)17-16(20)18-7-9-21-10-8-18/h4-5,12,19H,7-10H2,1-3H3,(H,17,20)
InChIKeyRFOVMVVBCHFWIQ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.49
Rot. Bonds1

About N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide

N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide (PubChem CID 170733961) has the molecular formula C16H22N2O3Si and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide
PubChem CID170733961
Molecular FormulaC16H22N2O3Si
Molecular Weight318.45 g/mol
Exact Mass318.14
IUPAC NameN-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide
SMILESC[Si](C)(C)C#Cc1ccc(O)c(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C16H22N2O3Si/c1-22(2,3)11-6-13-4-5-15(19)14(12-13)17-16(20)18-7-9-21-10-8-18/h4-5,12,19H,7-10H2,1-3H3,(H,17,20)
InChIKeyRFOVMVVBCHFWIQ-UHFFFAOYSA-N
XLogP2.49
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide (CID 170733961) is N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide is C[Si](C)(C)C#Cc1ccc(O)c(NC(=O)N2CCOCC2)c1.
What is the InChIKey of N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide?
The InChIKey is RFOVMVVBCHFWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3Si/c1-22(2,3)11-6-13-4-5-15(19)14(12-13)17-16(20)18-7-9-21-10-8-18/h4-5,12,19H,7-10H2,1-3H3,(H,17,20).
What are the key properties of N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide?
N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 170733961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).