2-benzoyl-4-benzylmorpholin-3-one

C18H17NO3 — CID 102224308

IUPAC2-benzoyl-4-benzylmorpholin-3-one
SMILESO=C(c1ccccc1)C1OCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C18H17NO3/c20-16(15-9-5-2-6-10-15)17-18(21)19(11-12-22-17)13-14-7-3-1-4-8-14/h1-10,17H,11-13H2
InChIKeyHMMCETIQIJZOKT-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.30
Rot. Bonds4

About 2-benzoyl-4-benzylmorpholin-3-one

2-benzoyl-4-benzylmorpholin-3-one (PubChem CID 102224308) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-benzoyl-4-benzylmorpholin-3-one.

Molecular Properties

Compound Name2-benzoyl-4-benzylmorpholin-3-one
PubChem CID102224308
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-benzoyl-4-benzylmorpholin-3-one
SMILESO=C(c1ccccc1)C1OCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C18H17NO3/c20-16(15-9-5-2-6-10-15)17-18(21)19(11-12-22-17)13-14-7-3-1-4-8-14/h1-10,17H,11-13H2
InChIKeyHMMCETIQIJZOKT-UHFFFAOYSA-N
XLogP2.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Morpholine, 4-(o-benzoylbenzoyl)
CID 208217
[2-[Benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2356128
Phenacyl 3-benzamidopropanoate
CID 2556661
4-[2-(2-Phenylethyl)benzoyl]morpholine
CID 1255389
4-(2-Biphenylylcarbonyl)morpholine
CID 976209
[4-(Morpholine-4-carbonyl)phenyl]-phenylmethanone
CID 2230131
ST043087
CID 2189777
(3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy)-4-phenylazetidin-2-one
CID 10969830
[4-(2,6-Dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone
CID 2999020
Oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[(2R)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 7873337
[(2R,3R)-4-oxo-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-3-yl] cyclopropanecarboxylate
CID 72714164

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4-benzylmorpholin-3-one?
The IUPAC name of 2-benzoyl-4-benzylmorpholin-3-one (CID 102224308) is 2-benzoyl-4-benzylmorpholin-3-one.
What is the SMILES notation for 2-benzoyl-4-benzylmorpholin-3-one?
The canonical SMILES for 2-benzoyl-4-benzylmorpholin-3-one is O=C(c1ccccc1)C1OCCN(Cc2ccccc2)C1=O.
What is the InChIKey of 2-benzoyl-4-benzylmorpholin-3-one?
The InChIKey is HMMCETIQIJZOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-16(15-9-5-2-6-10-15)17-18(21)19(11-12-22-17)13-14-7-3-1-4-8-14/h1-10,17H,11-13H2.
What are the key properties of 2-benzoyl-4-benzylmorpholin-3-one?
2-benzoyl-4-benzylmorpholin-3-one has a molecular weight of 295.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-4-benzylmorpholin-3-one is sourced from PubChem (CID 102224308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).