(5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one

C20H21NO2 — CID 102308620

IUPAC(5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one
SMILESO=C1[C@H](c2ccccc2)[C@@H]2[C@@H](OCc3ccccc3)CCCN12
InChIInChI=1S/C20H21NO2/c22-20-18(16-10-5-2-6-11-16)19-17(12-7-13-21(19)20)23-14-15-8-3-1-4-9-15/h1-6,8-11,17-19H,7,12-14H2/t17-,18+,19-/m0/s1
InChIKeyZRSYCROAPABRFG-OTWHNJEPSA-N
MW307.39 g/mol
LogP3.36
Rot. Bonds4

About (5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one

(5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one (PubChem CID 102308620) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one.

Molecular Properties

Compound Name(5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one
PubChem CID102308620
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one
SMILESO=C1[C@H](c2ccccc2)[C@@H]2[C@@H](OCc3ccccc3)CCCN12
InChIInChI=1S/C20H21NO2/c22-20-18(16-10-5-2-6-11-16)19-17(12-7-13-21(19)20)23-14-15-8-3-1-4-9-15/h1-6,8-11,17-19H,7,12-14H2/t17-,18+,19-/m0/s1
InChIKeyZRSYCROAPABRFG-OTWHNJEPSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one with MolForge

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Related Compounds

(5S,6R,7R)-7-(diethoxymethyl)-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one
CID 102308622
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-6-phenyl-1-azabicyclo[3.2.0]heptan-7-one
CID 102412825
(1S,2S,8S)-1-ethenyl-2-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 100983279
2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione
CID 68810098
oxalic acid;2-phenyl-3-phenylmethoxypiperidine
CID 19379364
(1S,6S,7R,8R,8aS)-1,6,7,8-tetrakis(phenylmethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11124483
[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 122383761
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
(1R,2S,5R,6R,12S)-5-(hydroxymethyl)-12-phenylmethoxy-4,7-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-3-one
CID 101488735
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565

Frequently Asked Questions

What is the IUPAC name of (5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one?
The IUPAC name of (5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one (CID 102308620) is (5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one.
What is the SMILES notation for (5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one?
The canonical SMILES for (5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one is O=C1[C@H](c2ccccc2)[C@@H]2[C@@H](OCc3ccccc3)CCCN12.
What is the InChIKey of (5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one?
The InChIKey is ZRSYCROAPABRFG-OTWHNJEPSA-N. The full InChI is InChI=1S/C20H21NO2/c22-20-18(16-10-5-2-6-11-16)19-17(12-7-13-21(19)20)23-14-15-8-3-1-4-9-15/h1-6,8-11,17-19H,7,12-14H2/t17-,18+,19-/m0/s1.
What are the key properties of (5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one?
(5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one has a molecular weight of 307.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one is sourced from PubChem (CID 102308620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).