[(2R)-4-benzylmorpholin-2-yl]methyl benzoate

C19H21NO3 — CID 54346550

IUPAC[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-19(17-9-5-2-6-10-17)23-15-18-14-20(11-12-22-18)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2/t18-/m1/s1
InChIKeyUCRTVQAVMRJYML-GOSISDBHSA-N
MW311.38 g/mol
LogP2.74
Rot. Bonds5

About [(2R)-4-benzylmorpholin-2-yl]methyl benzoate

[(2R)-4-benzylmorpholin-2-yl]methyl benzoate (PubChem CID 54346550) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(2R)-4-benzylmorpholin-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
PubChem CID54346550
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-19(17-9-5-2-6-10-17)23-15-18-14-20(11-12-22-18)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2/t18-/m1/s1
InChIKeyUCRTVQAVMRJYML-GOSISDBHSA-N
XLogP2.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate
CID 55325638
(4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55479602
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
[(2S)-4-benzylmorpholin-2-yl]methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 97240581
(4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 56586482
[(2R)-4-benzylmorpholin-2-yl]methyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 95250882
(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate
CID 55368942
(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 84602301
(4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate
CID 56586442
ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride
CID 19983193
(4-benzylmorpholin-2-yl)methyl 4-imidazol-1-yl-3-nitrobenzoate
CID 78765888
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-benzylmorpholin-2-yl]methyl benzoate?
The IUPAC name of [(2R)-4-benzylmorpholin-2-yl]methyl benzoate (CID 54346550) is [(2R)-4-benzylmorpholin-2-yl]methyl benzoate.
What is the SMILES notation for [(2R)-4-benzylmorpholin-2-yl]methyl benzoate?
The canonical SMILES for [(2R)-4-benzylmorpholin-2-yl]methyl benzoate is O=C(OC[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1.
What is the InChIKey of [(2R)-4-benzylmorpholin-2-yl]methyl benzoate?
The InChIKey is UCRTVQAVMRJYML-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21NO3/c21-19(17-9-5-2-6-10-17)23-15-18-14-20(11-12-22-18)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2/t18-/m1/s1.
What are the key properties of [(2R)-4-benzylmorpholin-2-yl]methyl benzoate?
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate has a molecular weight of 311.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-benzylmorpholin-2-yl]methyl benzoate is sourced from PubChem (CID 54346550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).