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

C19H21NO3 — CID 135072182

IUPAC(3R,4S)-1-buta-2,3-dienyl-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one
SMILESC=C=CCN1C(=O)[C@H](OC)[C@@H]1[C@H](OC)C(=C=C)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-5-7-13-20-16(18(23-4)19(20)21)17(22-3)15(6-2)14-11-9-8-10-12-14/h7-12,16-18H,1-2,13H2,3-4H3/t16-,17+,18+/m0/s1
InChIKeyOJFGWOPQUDHCHB-RCCFBDPRSA-N
MW311.38 g/mol
LogP2.44
Rot. Bonds7

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

(3R,4S)-1-buta-2,3-dienyl-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one (PubChem CID 135072182) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3R,4S)-1-buta-2,3-dienyl-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-buta-2,3-dienyl-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one
PubChem CID135072182
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(3R,4S)-1-buta-2,3-dienyl-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one
SMILESC=C=CCN1C(=O)[C@H](OC)[C@@H]1[C@H](OC)C(=C=C)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-5-7-13-20-16(18(23-4)19(20)21)17(22-3)15(6-2)14-11-9-8-10-12-14/h7-12,16-18H,1-2,13H2,3-4H3/t16-,17+,18+/m0/s1
InChIKeyOJFGWOPQUDHCHB-RCCFBDPRSA-N
XLogP2.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

(3S,4R)-1-Acetyl-3-methoxy-4-((E)-1-methyl-2-phenyl-vinyl)-azetidin-2-one
CID 44319331
(3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one
CID 44319641
(3R,4S)-3-methoxy-1-methylsulfanyl-4-(2-phenylethyl)azetidin-2-one
CID 9899737
3-Methoxy-1,3-dimethyl-4-phenyl-2-azetidinone
CID 340121
(3R,4S)-1-hexyl-3-methoxy-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 162413150
(3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one
CID 13004886
(4R)-4-(2-phenylethyl)-3-phenylmethoxyazetidin-2-one
CID 15395997
2-[(2S,3S)-3-methoxy-2-(2-methyl-3-phenyloxiran-2-yl)-4-oxoazetidin-1-yl]-2-methylpropanenitrile
CID 134867352
(6E,8R,9R)-7-methoxy-6-methyl-4,5-dimethylidene-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one
CID 135062653
(6E,8R,9R)-7-methoxy-4,5-dimethylidene-6-phenyl-9-phenylmethoxy-1-azabicyclo[6.2.0]dec-6-en-10-one
CID 135062654
(6E,8R,9R)-7,9-dimethoxy-4,5-dimethylidene-6-phenyl-1-azabicyclo[6.2.0]dec-6-en-10-one
CID 135063453
(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one
CID 135071348

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-buta-2,3-dienyl-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one?
The IUPAC name of (3R,4S)-1-buta-2,3-dienyl-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one (CID 135072182) is (3R,4S)-1-buta-2,3-dienyl-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-buta-2,3-dienyl-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-1-buta-2,3-dienyl-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one is C=C=CCN1C(=O)[C@H](OC)[C@@H]1[C@H](OC)C(=C=C)c1ccccc1.
What is the InChIKey of (3R,4S)-1-buta-2,3-dienyl-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one?
The InChIKey is OJFGWOPQUDHCHB-RCCFBDPRSA-N. The full InChI is InChI=1S/C19H21NO3/c1-5-7-13-20-16(18(23-4)19(20)21)17(22-3)15(6-2)14-11-9-8-10-12-14/h7-12,16-18H,1-2,13H2,3-4H3/t16-,17+,18+/m0/s1.
What are the key properties of (3R,4S)-1-buta-2,3-dienyl-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one?
(3R,4S)-1-buta-2,3-dienyl-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.44, 7 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-3-methoxy-4-[(1R)-1-methoxy-2-phenylbuta-2,3-dienyl]azetidin-2-one is sourced from PubChem (CID 135072182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).