tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate

C16H29NO4 — CID 68561852

IUPACtert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(OCC2CCCCC2)C1
InChIInChI=1S/C16H29NO4/c1-16(2,3)21-15(18)17-9-10-19-14(11-17)20-12-13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3
InChIKeyFSDLGKRWARLCMP-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.18
Rot. Bonds3

About tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate

tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate (PubChem CID 68561852) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate
PubChem CID68561852
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(OCC2CCCCC2)C1
InChIInChI=1S/C16H29NO4/c1-16(2,3)21-15(18)17-9-10-19-14(11-17)20-12-13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3
InChIKeyFSDLGKRWARLCMP-UHFFFAOYSA-N
XLogP3.18
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
tert-butyl 3-ethylazepane-1-carboxylate
CID 118248120
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
CID 72640505
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 160517937
1-(cyclohexylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 42609004
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate (CID 68561852) is tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(OCC2CCCCC2)C1.
What is the InChIKey of tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate?
The InChIKey is FSDLGKRWARLCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-16(2,3)21-15(18)17-9-10-19-14(11-17)20-12-13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3.
What are the key properties of tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate?
tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate is sourced from PubChem (CID 68561852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).