6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione

C23H17NO5 — CID 71333879

IUPAC6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione
SMILESO=C1OC(c2ccccc2)(c2ccccc2)C(=O)N(OCc2ccccc2)C1=O
InChIInChI=1S/C23H17NO5/c25-20-21(26)29-23(18-12-6-2-7-13-18,19-14-8-3-9-15-19)22(27)24(20)28-16-17-10-4-1-5-11-17/h1-15H,16H2
InChIKeyMTWKJNZTXQVYEZ-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.97
Rot. Bonds5

About 6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione

6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione (PubChem CID 71333879) has the molecular formula C23H17NO5 and a molecular weight of 387.39 g/mol. Its IUPAC name is 6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione.

Molecular Properties

Compound Name6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione
PubChem CID71333879
Molecular FormulaC23H17NO5
Molecular Weight387.39 g/mol
Exact Mass387.11
IUPAC Name6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione
SMILESO=C1OC(c2ccccc2)(c2ccccc2)C(=O)N(OCc2ccccc2)C1=O
InChIInChI=1S/C23H17NO5/c25-20-21(26)29-23(18-12-6-2-7-13-18,19-14-8-3-9-15-19)22(27)24(20)28-16-17-10-4-1-5-11-17/h1-15H,16H2
InChIKeyMTWKJNZTXQVYEZ-UHFFFAOYSA-N
XLogP2.97
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione
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(1R,2S,3S,6S,7S,8R,9S,13S)-3,4,5,6,15,15-hexachloro-11-phenylmethoxy-14-oxa-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione
CID 119079089
3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045968
CID 68630458
CID 68630458
(1S,2S,3S,6S,7R,8R,9S,13R)-3,4,5,6-tetrachloro-11-phenylmethoxy-14-oxa-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione
CID 124756569
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2-[[4-(chloromethyl)phenyl]methoxy]isoindole-1,3-dione
CID 23315738
(2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid
CID 57067292
2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one
CID 154722316
2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
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Frequently Asked Questions

What is the IUPAC name of 6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione?
The IUPAC name of 6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione (CID 71333879) is 6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione.
What is the SMILES notation for 6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione?
The canonical SMILES for 6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione is O=C1OC(c2ccccc2)(c2ccccc2)C(=O)N(OCc2ccccc2)C1=O.
What is the InChIKey of 6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione?
The InChIKey is MTWKJNZTXQVYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO5/c25-20-21(26)29-23(18-12-6-2-7-13-18,19-14-8-3-9-15-19)22(27)24(20)28-16-17-10-4-1-5-11-17/h1-15H,16H2.
What are the key properties of 6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione?
6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione has a molecular weight of 387.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione is sourced from PubChem (CID 71333879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).