(1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione

C23H20N2O4 — CID 101229388

IUPAC(1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione
SMILESO=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1CC[C@@H]2C2OC(=O)N(c3ccccc3)C21
InChIInChI=1S/C23H20N2O4/c26-21-17-15-11-12-16(18(17)22(27)25(21)14-9-5-2-6-10-14)20-19(15)24(23(28)29-20)13-7-3-1-4-8-13/h1-10,15-20H,11-12H2/t15-,16-,17+,18-,19?,20?/m0/s1
InChIKeyRRNPOEIQSDAPMJ-MFVOSEHLSA-N
MW388.42 g/mol
LogP3.23
Rot. Bonds2

About (1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione

(1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione (PubChem CID 101229388) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione.

Molecular Properties

Compound Name(1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione
PubChem CID101229388
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione
SMILESO=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1CC[C@@H]2C2OC(=O)N(c3ccccc3)C21
InChIInChI=1S/C23H20N2O4/c26-21-17-15-11-12-16(18(17)22(27)25(21)14-9-5-2-6-10-14)20-19(15)24(23(28)29-20)13-7-3-1-4-8-13/h1-10,15-20H,11-12H2/t15-,16-,17+,18-,19?,20?/m0/s1
InChIKeyRRNPOEIQSDAPMJ-MFVOSEHLSA-N
XLogP3.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione with MolForge

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Related Compounds

(1S,2R,6S,7R)-4-phenyl-12-oxa-4-azatetracyclo[5.4.1.02,6.08,11]dodecane-3,5-dione
CID 102434281
(1R,2R,6S,7R,8R,11R)-4-phenyl-4-azatetracyclo[5.4.2.02,6.08,11]tridec-9-ene-3,5-dione
CID 98518522
4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 162787664
4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 548819
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293
(4R,5R,6S,7S)-5,6-dihydroxy-2-phenyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 11572630
(1R,2S,6R,7R,8S,10S)-4-phenyl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98119781
(1S,2S,6R)-4-phenyl-7-oxa-4,8-diazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 102056557
(1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione
CID 164667716
4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one
CID 101253932
(1R,2R,6R,7S)-4-phenyl-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
CID 98343423
7-phenyl-2,3,5,5a,8a,9-hexahydro-[1,4]dioxino[2,3-f]isoindole-6,8-dione
CID 102204081

Frequently Asked Questions

What is the IUPAC name of (1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione?
The IUPAC name of (1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione (CID 101229388) is (1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione.
What is the SMILES notation for (1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione?
The canonical SMILES for (1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione is O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1CC[C@@H]2C2OC(=O)N(c3ccccc3)C21.
What is the InChIKey of (1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione?
The InChIKey is RRNPOEIQSDAPMJ-MFVOSEHLSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-21-17-15-11-12-16(18(17)22(27)25(21)14-9-5-2-6-10-14)20-19(15)24(23(28)29-20)13-7-3-1-4-8-13/h1-10,15-20H,11-12H2/t15-,16-,17+,18-,19?,20?/m0/s1.
What are the key properties of (1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione?
(1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione has a molecular weight of 388.42 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione is sourced from PubChem (CID 101229388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).