[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

C17H24N2O5 — CID 7603315

IUPAC[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2ccccc2NCCO)C[C@@H](C)O1
InChIInChI=1S/C17H24N2O5/c1-12-9-19(10-13(2)24-12)16(21)11-23-17(22)14-5-3-4-6-15(14)18-7-8-20/h3-6,12-13,18,20H,7-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyNZGSYXFHHJUDTB-CHWSQXEVSA-N
MW336.39 g/mol
LogP0.88
Rot. Bonds6

About [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 7603315) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID7603315
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2ccccc2NCCO)C[C@@H](C)O1
InChIInChI=1S/C17H24N2O5/c1-12-9-19(10-13(2)24-12)16(21)11-23-17(22)14-5-3-4-6-15(14)18-7-8-20/h3-6,12-13,18,20H,7-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyNZGSYXFHHJUDTB-CHWSQXEVSA-N
XLogP0.88
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate
CID 7989965
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] naphthalene-1-carboxylate
CID 4202152
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-benzoylbenzoate
CID 7470890
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 2606152
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7427415
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16529275
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603115
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 24653005
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503895
(2,6-dimethylmorpholin-4-yl)-[2-(propylamino)phenyl]methanone
CID 62171334
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 4087645
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (CID 7603315) is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is C[C@@H]1CN(C(=O)COC(=O)c2ccccc2NCCO)C[C@@H](C)O1.
What is the InChIKey of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is NZGSYXFHHJUDTB-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-12-9-19(10-13(2)24-12)16(21)11-23-17(22)14-5-3-4-6-15(14)18-7-8-20/h3-6,12-13,18,20H,7-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 336.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 7603315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).