(3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one

C32H29NO3 — CID 46932772

IUPAC(3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one
SMILESCC(=O)[C@@H]1C(=O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1COCc1ccccc1
InChIInChI=1S/C32H29NO3/c1-24(34)30-29(23-36-22-25-14-6-2-7-15-25)33(31(30)35)32(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,29-30H,22-23H2,1H3/t29-,30-/m0/s1
InChIKeyOLDUJDJTRGYSCI-KYJUHHDHSA-N
MW475.59 g/mol
LogP5.61
Rot. Bonds9

About (3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one

(3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one (PubChem CID 46932772) has the molecular formula C32H29NO3 and a molecular weight of 475.59 g/mol. Its IUPAC name is (3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one
PubChem CID46932772
Molecular FormulaC32H29NO3
Molecular Weight475.59 g/mol
Exact Mass475.21
IUPAC Name(3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one
SMILESCC(=O)[C@@H]1C(=O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1COCc1ccccc1
InChIInChI=1S/C32H29NO3/c1-24(34)30-29(23-36-22-25-14-6-2-7-15-25)33(31(30)35)32(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,29-30H,22-23H2,1H3/t29-,30-/m0/s1
InChIKeyOLDUJDJTRGYSCI-KYJUHHDHSA-N
XLogP5.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-N-methoxy-N-methyl-2-oxo-4-(phenylmethoxymethyl)-1-tritylazetidine-3-carboxamide
CID 46932581
(3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)-1-tritylazetidine-3-carboxamide
CID 101837420
1-(2-(Benzyloxy)-1-phenylethyl)-4-(tert-butoxymethyl)-3,3-dimethyl-2-azetidinone
CID 494852
(4R)-1-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-3,3-dimethyl-4-phenylazetidin-2-one
CID 11257647
(3R,4S)-1-[(2S)-4-methyl-1-phenylmethoxypentan-2-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one
CID 15094653
methyl (3R,4S)-2-oxo-4-(phenylmethoxymethyl)-1-tritylazetidine-3-carboxylate
CID 46932676
methyl (2R,3S)-2-[acetyloxy(diphenyl)methyl]-4-oxo-1-(1-phenylethyl)azetidine-3-carboxylate
CID 135067818
methyl (2S,3R)-2-[acetyloxy(diphenyl)methyl]-4-oxo-1-(1-phenylethyl)azetidine-3-carboxylate
CID 135068028
2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 15486203
2,2,2-trifluoro-N-(1-phenylbut-3-enyl)-N-(1-trityloxybut-3-en-2-yl)acetamide
CID 15486208
1-Benzyl-3,3-difluoro-4-(phenylmethoxymethyl)azetidin-2-one
CID 130655833
(4S)-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]-1-[(1S)-1-phenyl-2-phenylmethoxyethyl]azetidin-2-one
CID 365802

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one?
The IUPAC name of (3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one (CID 46932772) is (3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one is CC(=O)[C@@H]1C(=O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1COCc1ccccc1.
What is the InChIKey of (3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one?
The InChIKey is OLDUJDJTRGYSCI-KYJUHHDHSA-N. The full InChI is InChI=1S/C32H29NO3/c1-24(34)30-29(23-36-22-25-14-6-2-7-15-25)33(31(30)35)32(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,29-30H,22-23H2,1H3/t29-,30-/m0/s1.
What are the key properties of (3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one?
(3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one has a molecular weight of 475.59 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-acetyl-4-(phenylmethoxymethyl)-1-tritylazetidin-2-one is sourced from PubChem (CID 46932772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).