[(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate

C19H21NO3 — CID 174297863

IUPAC[(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate
SMILESC[C@@]1(OC(=O)c2ccc(Cc3ccccc3)cc2)CNCCO1
InChIInChI=1S/C19H21NO3/c1-19(14-20-11-12-22-19)23-18(21)17-9-7-16(8-10-17)13-15-5-3-2-4-6-15/h2-10,20H,11-14H2,1H3/t19-/m1/s1
InChIKeyMXRYNGKDDAJOIX-LJQANCHMSA-N
MW311.38 g/mol
LogP2.77
Rot. Bonds4

About [(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate

[(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate (PubChem CID 174297863) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate.

Molecular Properties

Compound Name[(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate
PubChem CID174297863
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate
SMILESC[C@@]1(OC(=O)c2ccc(Cc3ccccc3)cc2)CNCCO1
InChIInChI=1S/C19H21NO3/c1-19(14-20-11-12-22-19)23-18(21)17-9-7-16(8-10-17)13-15-5-3-2-4-6-15/h2-10,20H,11-14H2,1H3/t19-/m1/s1
InChIKeyMXRYNGKDDAJOIX-LJQANCHMSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylamino)morpholin-2-yl] benzoate
CID 175562545
(2-methylmorpholin-2-yl)-phenylmethanone
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CID 69247830
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CID 141311981
methyl 2-(4-benzylphenyl)-2-oxoacetate
CID 112616475
4-(4-benzylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863809
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
acetic acid;2,2-diethylmorpholine
CID 70348686
(4-phenylpiperidin-4-yl) 4-propylbenzoate
CID 167316093
methyl 4-[(3-methylpyrrolidin-3-yl)sulfamoylmethyl]benzoate
CID 107423375
[(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate
CID 10738540
benzylbenzene;ethane;methane;methoxymethane;methyl acetate
CID 158415812

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate?
The IUPAC name of [(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate (CID 174297863) is [(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate.
What is the SMILES notation for [(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate?
The canonical SMILES for [(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate is C[C@@]1(OC(=O)c2ccc(Cc3ccccc3)cc2)CNCCO1.
What is the InChIKey of [(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate?
The InChIKey is MXRYNGKDDAJOIX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(14-20-11-12-22-19)23-18(21)17-9-7-16(8-10-17)13-15-5-3-2-4-6-15/h2-10,20H,11-14H2,1H3/t19-/m1/s1.
What are the key properties of [(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate?
[(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate has a molecular weight of 311.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate is sourced from PubChem (CID 174297863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).