[2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate

C20H37NO5 — CID 170223279

IUPAC[2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate
SMILESCCCC[C@H](C)CC(C)(C)OC(=O)COC(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C20H37NO5/c1-7-8-9-16(2)14-19(3,4)26-17(22)15-25-18(23)20(5,6)21-10-12-24-13-11-21/h16H,7-15H2,1-6H3/t16-/m0/s1
InChIKeyTYIIDFVBYWCJPX-INIZCTEOSA-N
MW371.52 g/mol
LogP3.18
Rot. Bonds10

About [2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate

[2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate (PubChem CID 170223279) has the molecular formula C20H37NO5 and a molecular weight of 371.52 g/mol. Its IUPAC name is [2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate.

Molecular Properties

Compound Name[2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate
PubChem CID170223279
Molecular FormulaC20H37NO5
Molecular Weight371.52 g/mol
Exact Mass371.27
IUPAC Name[2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate
SMILESCCCC[C@H](C)CC(C)(C)OC(=O)COC(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C20H37NO5/c1-7-8-9-16(2)14-19(3,4)26-17(22)15-25-18(23)20(5,6)21-10-12-24-13-11-21/h16H,7-15H2,1-6H3/t16-/m0/s1
InChIKeyTYIIDFVBYWCJPX-INIZCTEOSA-N
XLogP3.18
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate?
The IUPAC name of [2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate (CID 170223279) is [2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate.
What is the SMILES notation for [2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate?
The canonical SMILES for [2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate is CCCC[C@H](C)CC(C)(C)OC(=O)COC(=O)C(C)(C)N1CCOCC1.
What is the InChIKey of [2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate?
The InChIKey is TYIIDFVBYWCJPX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H37NO5/c1-7-8-9-16(2)14-19(3,4)26-17(22)15-25-18(23)20(5,6)21-10-12-24-13-11-21/h16H,7-15H2,1-6H3/t16-/m0/s1.
What are the key properties of [2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate?
[2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate has a molecular weight of 371.52 g/mol, XLogP of 3.18, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate is sourced from PubChem (CID 170223279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).