(5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one

C23H45NO3 — CID 142663774

IUPAC(5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one
SMILESCC(C)C[C@H]1COC(=O)CN1CCCCCCCCCCCOC(C)(C)C
InChIInChI=1S/C23H45NO3/c1-20(2)17-21-19-26-22(25)18-24(21)15-13-11-9-7-6-8-10-12-14-16-27-23(3,4)5/h20-21H,6-19H2,1-5H3/t21-/m0/s1
InChIKeyKMCXHDJPRYRJAO-NRFANRHFSA-N
MW383.62 g/mol
LogP5.59
Rot. Bonds14

About (5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one

(5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one (PubChem CID 142663774) has the molecular formula C23H45NO3 and a molecular weight of 383.62 g/mol. Its IUPAC name is (5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one.

Molecular Properties

Compound Name(5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one
PubChem CID142663774
Molecular FormulaC23H45NO3
Molecular Weight383.62 g/mol
Exact Mass383.34
IUPAC Name(5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one
SMILESCC(C)C[C@H]1COC(=O)CN1CCCCCCCCCCCOC(C)(C)C
InChIInChI=1S/C23H45NO3/c1-20(2)17-21-19-26-22(25)18-24(21)15-13-11-9-7-6-8-10-12-14-16-27-23(3,4)5/h20-21H,6-19H2,1-5H3/t21-/m0/s1
InChIKeyKMCXHDJPRYRJAO-NRFANRHFSA-N
XLogP5.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

C18H34Ino2
CID 16189443
2-(2-Methylpropyl)cyclohexyl piperidin-1-ylacetate
CID 3268412
Cyclododecyl 2-(piperidin-1-YL)acetate
CID 3753358
2-(2-Methylpropyl)cyclohexyl 2-(methylpiperidyl)acetate
CID 3122277
1-Piperidineacetic acid, decyl ester, hydrochloride
CID 3047187
1-[2-(Dodecyloxy)-2-oxoethyl]-1-methylpiperidin-1-ium chloride
CID 11222189
3-Cyclohexylpropyl piperidin-1-ylacetate
CID 1986629
3-Cyclohexylpropyl 2-(methylpiperidyl)acetate
CID 3122278
1-(2-(Cyclododecyloxy)-2-oxoethyl)-1-methylpiperidin-1-ium iodide
CID 44655086
Decyl 2-piperidin-1-ylacetate
CID 3047188
(s)-N-(11-dimethylethoxysilylundecyl)-5-isobutyl-2,3,5,6-tetrahydro-4h-1,4-oxazin-2-one
CID 129847199
(s)-4-Dodecyl-5-isobutyl-2,3,5,6-tetrahydro-4h-1,4-oxazin-2-one
CID 129847203

Frequently Asked Questions

What is the IUPAC name of (5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one?
The IUPAC name of (5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one (CID 142663774) is (5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one.
What is the SMILES notation for (5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one?
The canonical SMILES for (5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one is CC(C)C[C@H]1COC(=O)CN1CCCCCCCCCCCOC(C)(C)C.
What is the InChIKey of (5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one?
The InChIKey is KMCXHDJPRYRJAO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H45NO3/c1-20(2)17-21-19-26-22(25)18-24(21)15-13-11-9-7-6-8-10-12-14-16-27-23(3,4)5/h20-21H,6-19H2,1-5H3/t21-/m0/s1.
What are the key properties of (5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one?
(5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one has a molecular weight of 383.62 g/mol, XLogP of 5.59, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]-5-(2-methylpropyl)morpholin-2-one is sourced from PubChem (CID 142663774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).