(3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one

C29H33NO3 — CID 15094653

IUPAC(3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one
SMILESCC(C)C[C@@H](COCc1ccccc1)N1C(=O)[C@H](OCc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H33NO3/c1-22(2)18-26(21-32-19-23-12-6-3-7-13-23)30-27(25-16-10-5-11-17-25)28(29(30)31)33-20-24-14-8-4-9-15-24/h3-17,22,26-28H,18-21H2,1-2H3/t26-,27-,28+/m0/s1
InChIKeyCXGVLLJWILQCSD-HZFUHODCSA-N
MW443.59 g/mol
LogP5.79
Rot. Bonds11

About (3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one

(3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one (PubChem CID 15094653) has the molecular formula C29H33NO3 and a molecular weight of 443.59 g/mol. Its IUPAC name is (3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one
PubChem CID15094653
Molecular FormulaC29H33NO3
Molecular Weight443.59 g/mol
Exact Mass443.25
IUPAC Name(3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one
SMILESCC(C)C[C@@H](COCc1ccccc1)N1C(=O)[C@H](OCc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H33NO3/c1-22(2)18-26(21-32-19-23-12-6-3-7-13-23)30-27(25-16-10-5-11-17-25)28(29(30)31)33-20-24-14-8-4-9-15-24/h3-17,22,26-28H,18-21H2,1-2H3/t26-,27-,28+/m0/s1
InChIKeyCXGVLLJWILQCSD-HZFUHODCSA-N
XLogP5.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one with MolForge

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Related Compounds

Carbiphene
CID 10080
Benzeneacetamide, alpha-ethoxy-N-methyl-N-(2-(methyl(2-phenylethyl)amino)ethyl)-alpha-phenyl-, hydrochloride (1:1)
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(S)-benzyl 4-methyl-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanoate
CID 44428420
1-Benzyl-2-(4-methylphenyl)-4-oxo-3-azetidinyl acetate
CID 4231036
(3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one
CID 44319641
Acetic acid, phenyl-, alpha-((N-cyclohexyl-N-(phenylacetamido))methyl)benzyl ester
CID 38066
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
4-Benzyl-2,2-dimethyl-6,6-diphenylmorpholine-3,5-dione
CID 12282992
(3S,4R)-3-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-1-[(1S)-1-phenylethyl]-4-[(E)-styryl]azetidin-2-one
CID 118717235
(3S,4R)-3-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-1-[(1S)-1-phenylethyl]-4-(p-tolyl)azetidin-2-one
CID 118717239
(3S,4R)-3-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-4-(m-tolyl)-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 118717240
(3S,4R)-4-(4-fluorophenyl)-3-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 118717241

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one (CID 15094653) is (3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one is CC(C)C[C@@H](COCc1ccccc1)N1C(=O)[C@H](OCc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one?
The InChIKey is CXGVLLJWILQCSD-HZFUHODCSA-N. The full InChI is InChI=1S/C29H33NO3/c1-22(2)18-26(21-32-19-23-12-6-3-7-13-23)30-27(25-16-10-5-11-17-25)28(29(30)31)33-20-24-14-8-4-9-15-24/h3-17,22,26-28H,18-21H2,1-2H3/t26-,27-,28+/m0/s1.
What are the key properties of (3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one?
(3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one has a molecular weight of 443.59 g/mol, XLogP of 5.79, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 15094653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).