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

C20H23NO3 — CID 135071348

IUPAC(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one
SMILESC=C=CCN1C(=O)[C@H](OCc2ccccc2)[C@@H]1[C@H](OC)C(C)=C=C
InChIInChI=1S/C20H23NO3/c1-5-7-13-21-17(18(23-4)15(3)6-2)19(20(21)22)24-14-16-11-9-8-10-12-16/h7-12,17-19H,1-2,13-14H2,3-4H3/t17-,18+,19+/m0/s1
InChIKeyNHYSVILLJBFZCA-IPMKNSEASA-N
MW325.41 g/mol
LogP2.87
Rot. Bonds8

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

(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one (PubChem CID 135071348) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one
PubChem CID135071348
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one
SMILESC=C=CCN1C(=O)[C@H](OCc2ccccc2)[C@@H]1[C@H](OC)C(C)=C=C
InChIInChI=1S/C20H23NO3/c1-5-7-13-21-17(18(23-4)15(3)6-2)19(20(21)22)24-14-16-11-9-8-10-12-16/h7-12,17-19H,1-2,13-14H2,3-4H3/t17-,18+,19+/m0/s1
InChIKeyNHYSVILLJBFZCA-IPMKNSEASA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
2-Cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone
CID 53008491
(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-[(pentafluoro-lambda6-sulfanyl)methyl]-3-phenylmethoxy-1-prop-2-enylazetidin-2-one
CID 139193507
(3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one
CID 11290618
[(2R)-2-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate
CID 390824
Cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53008490
Cyclopentyl{3-[(3-fluorobenzyl)oxy]-1-azetanyl}methanone
CID 53008508

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one (CID 135071348) is (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-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-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one is C=C=CCN1C(=O)[C@H](OCc2ccccc2)[C@@H]1[C@H](OC)C(C)=C=C.
What is the InChIKey of (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one?
The InChIKey is NHYSVILLJBFZCA-IPMKNSEASA-N. The full InChI is InChI=1S/C20H23NO3/c1-5-7-13-21-17(18(23-4)15(3)6-2)19(20(21)22)24-14-16-11-9-8-10-12-16/h7-12,17-19H,1-2,13-14H2,3-4H3/t17-,18+,19+/m0/s1.
What are the key properties of (3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one?
(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.87, 8 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-methylbuta-2,3-dienyl]-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 135071348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).