(4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one

C21H20N2O2 — CID 177493805

IUPAC(4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one
SMILESO=C1N2CC[C@@]3(c4ccccc4)O[C@@]4(c5ccccc5)CCN1C4C23
InChIInChI=1S/C21H20N2O2/c24-19-22-13-11-20(15-7-3-1-4-8-15)17(22)18-21(25-20,12-14-23(18)19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17?,18?,20-,21+
InChIKeyXIDSDRYFPJVZPE-DJOMHXKUSA-N
MW332.40 g/mol
LogP3.09
Rot. Bonds2

About (4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one

(4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one (PubChem CID 177493805) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one.

Molecular Properties

Compound Name(4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one
PubChem CID177493805
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one
SMILESO=C1N2CC[C@@]3(c4ccccc4)O[C@@]4(c5ccccc5)CCN1C4C23
InChIInChI=1S/C21H20N2O2/c24-19-22-13-11-20(15-7-3-1-4-8-15)17(22)18-21(25-20,12-14-23(18)19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17?,18?,20-,21+
InChIKeyXIDSDRYFPJVZPE-DJOMHXKUSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one with MolForge

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Related Compounds

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CID 544551
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CID 56843574
(3aS,6aR)-2-hydroxy-6a-phenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[d]oxaborole
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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one?
The IUPAC name of (4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one (CID 177493805) is (4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one.
What is the SMILES notation for (4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one?
The canonical SMILES for (4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one is O=C1N2CC[C@@]3(c4ccccc4)O[C@@]4(c5ccccc5)CCN1C4C23.
What is the InChIKey of (4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one?
The InChIKey is XIDSDRYFPJVZPE-DJOMHXKUSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-19-22-13-11-20(15-7-3-1-4-8-15)17(22)18-21(25-20,12-14-23(18)19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17?,18?,20-,21+.
What are the key properties of (4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one?
(4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one has a molecular weight of 332.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one is sourced from PubChem (CID 177493805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).