(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one

C25H25NO3 — CID 135071615

IUPAC(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one
SMILESC=C=CCN1C(=O)[C@H](OCc2ccccc2)[C@@H]1[C@H](OC)C(=C=C)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-4-6-17-26-22(23(28-3)21(5-2)20-15-11-8-12-16-20)24(25(26)27)29-18-19-13-9-7-10-14-19/h6-16,22-24H,1-2,17-18H2,3H3/t22-,23+,24+/m0/s1
InChIKeyDCPWSCHMONALQX-RBZQAINGSA-N
MW387.48 g/mol
LogP4.01
Rot. Bonds9

About (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one

(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one (PubChem CID 135071615) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one
PubChem CID135071615
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one
SMILESC=C=CCN1C(=O)[C@H](OCc2ccccc2)[C@@H]1[C@H](OC)C(=C=C)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-4-6-17-26-22(23(28-3)21(5-2)20-15-11-8-12-16-20)24(25(26)27)29-18-19-13-9-7-10-14-19/h6-16,22-24H,1-2,17-18H2,3H3/t22-,23+,24+/m0/s1
InChIKeyDCPWSCHMONALQX-RBZQAINGSA-N
XLogP4.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one with MolForge

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Related Compounds

4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
(3S,4S)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10617763
(3S,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 134835524
(3R,4S)-3-phenylmethoxy-1-propan-2-yl-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]azetidin-2-one
CID 139095407
(3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one
CID 11290618
N-[(1R)-1-phenylethyl]-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide
CID 15349921
[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate
CID 67612321
(2S,3S,5R,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.0]heptan-7-one
CID 90180932
benzyl (2R,5S)-7-oxo-3-phenyl-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate
CID 134924045
Cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53008490

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one (CID 135071615) is (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one is C=C=CCN1C(=O)[C@H](OCc2ccccc2)[C@@H]1[C@H](OC)C(=C=C)c1ccccc1.
What is the InChIKey of (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one?
The InChIKey is DCPWSCHMONALQX-RBZQAINGSA-N. The full InChI is InChI=1S/C25H25NO3/c1-4-6-17-26-22(23(28-3)21(5-2)20-15-11-8-12-16-20)24(25(26)27)29-18-19-13-9-7-10-14-19/h6-16,22-24H,1-2,17-18H2,3H3/t22-,23+,24+/m0/s1.
What are the key properties of (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one?
(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one has a molecular weight of 387.48 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 135071615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).