[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate

C19H33NO4 — CID 2345841

IUPAC[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESC[C@@H]1CN(C(=O)COC(=O)C2CCC(C(C)(C)C)CC2)C[C@H](C)O1
InChIInChI=1S/C19H33NO4/c1-13-10-20(11-14(2)24-13)17(21)12-23-18(22)15-6-8-16(9-7-15)19(3,4)5/h13-16H,6-12H2,1-5H3/t13-,14+,15?,16?
InChIKeyNAEDAWAYIFICQW-PJPHBNEVSA-N
MW339.48 g/mol
LogP3.02
Rot. Bonds3

About [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (PubChem CID 2345841) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
PubChem CID2345841
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESC[C@@H]1CN(C(=O)COC(=O)C2CCC(C(C)(C)C)CC2)C[C@H](C)O1
InChIInChI=1S/C19H33NO4/c1-13-10-20(11-14(2)24-13)17(21)12-23-18(22)15-6-8-16(9-7-15)19(3,4)5/h13-16H,6-12H2,1-5H3/t13-,14+,15?,16?
InChIKeyNAEDAWAYIFICQW-PJPHBNEVSA-N
XLogP3.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate with MolForge

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Related Compounds

[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 2355263
3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 64684519
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone
CID 2163030
(4-tert-butylcyclohexanecarbonyl) 4-tert-butylcyclohexane-1-carboperoxoate
CID 101452695
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3545684
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 42971186
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346476
bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 42988833
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063520
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (CID 2345841) is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The canonical SMILES for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate is C[C@@H]1CN(C(=O)COC(=O)C2CCC(C(C)(C)C)CC2)C[C@H](C)O1.
What is the InChIKey of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The InChIKey is NAEDAWAYIFICQW-PJPHBNEVSA-N. The full InChI is InChI=1S/C19H33NO4/c1-13-10-20(11-14(2)24-13)17(21)12-23-18(22)15-6-8-16(9-7-15)19(3,4)5/h13-16H,6-12H2,1-5H3/t13-,14+,15?,16?.
What are the key properties of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate has a molecular weight of 339.48 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 2345841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).