(1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one

C22H20N2O4 — CID 10690929

IUPAC(1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one
SMILESO=C1C2=NOC[C@H]2C[C@@]23[C@@H](c4ccccc4)OC[C@@H]2[C@@H](c2ccccc2)ON13
InChIInChI=1S/C22H20N2O4/c25-21-18-16(12-27-23-18)11-22-17(13-26-20(22)15-9-5-2-6-10-15)19(28-24(21)22)14-7-3-1-4-8-14/h1-10,16-17,19-20H,11-13H2/t16-,17-,19-,20-,22+/m1/s1
InChIKeyMPKVXQNSLAYWQH-WRVJLHSDSA-N
MW376.41 g/mol
LogP3.03
Rot. Bonds2

About (1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one

(1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one (PubChem CID 10690929) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one.

Molecular Properties

Compound Name(1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one
PubChem CID10690929
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one
SMILESO=C1C2=NOC[C@H]2C[C@@]23[C@@H](c4ccccc4)OC[C@@H]2[C@@H](c2ccccc2)ON13
InChIInChI=1S/C22H20N2O4/c25-21-18-16(12-27-23-18)11-22-17(13-26-20(22)15-9-5-2-6-10-15)19(28-24(21)22)14-7-3-1-4-8-14/h1-10,16-17,19-20H,11-13H2/t16-,17-,19-,20-,22+/m1/s1
InChIKeyMPKVXQNSLAYWQH-WRVJLHSDSA-N
XLogP3.03
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one with MolForge

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Related Compounds

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(3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
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5-phenyl-11-oxa-3,4,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4-triene
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(2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide
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(4S)-4-phenyloxolane-2,3-dione
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dimethyl (3aR,6R)-6-phenyl-3,3a,4,6-tetrahydrocyclopenta[c][1,2]oxazole-5,5-dicarboxylate
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(3S,3aR,6R,6aS)-3,6-diphenyl-6a-prop-2-enyl-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
CID 10662521
[(4S)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]methanol
CID 15529149
2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one
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Frequently Asked Questions

What is the IUPAC name of (1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one?
The IUPAC name of (1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one (CID 10690929) is (1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one.
What is the SMILES notation for (1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one?
The canonical SMILES for (1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one is O=C1C2=NOC[C@H]2C[C@@]23[C@@H](c4ccccc4)OC[C@@H]2[C@@H](c2ccccc2)ON13.
What is the InChIKey of (1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one?
The InChIKey is MPKVXQNSLAYWQH-WRVJLHSDSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21-18-16(12-27-23-18)11-22-17(13-26-20(22)15-9-5-2-6-10-15)19(28-24(21)22)14-7-3-1-4-8-14/h1-10,16-17,19-20H,11-13H2/t16-,17-,19-,20-,22+/m1/s1.
What are the key properties of (1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one?
(1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one has a molecular weight of 376.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,11S,12R,15R)-11,15-diphenyl-5,10,14-trioxa-6,9-diazatetracyclo[7.6.0.01,12.03,7]pentadec-6-en-8-one is sourced from PubChem (CID 10690929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).