benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate

C24H21NO4 — CID 3902786

IUPACbenzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)C(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2
InChIKeyHECRUWTZAMPQOS-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.66
Rot. Bonds4

About benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate

benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate (PubChem CID 3902786) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate
PubChem CID3902786
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Namebenzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)C(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2
InChIKeyHECRUWTZAMPQOS-UHFFFAOYSA-N
XLogP4.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate
CID 445644
1,3-Diphenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 44338317
N-benzyl-2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N-methylacetamide
CID 44346438
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid (R)-1,3-diphenyl-propyl ester
CID 44365490
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-phenethyl-piperazin-2-one
CID 10575547
(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)-1,3-oxazinan-2-one
CID 58109672
2-Dibenzylamino-3-phenyl-propionic acid benzyl ester
CID 375616
1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981225
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981233
(2R,3S)-(-)-N-Z-6-oxo-2,3-diphenylmorpholine
CID 981238
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742

Frequently Asked Questions

What is the IUPAC name of benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate?
The IUPAC name of benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate (CID 3902786) is benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate.
What is the SMILES notation for benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate?
The canonical SMILES for benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate is O=C1CN(C(=O)OCc2ccccc2)C(c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate?
The InChIKey is HECRUWTZAMPQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2.
What are the key properties of benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate?
benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate is sourced from PubChem (CID 3902786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).