(3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one

C20H19NO4 — CID 67850729

IUPAC(3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one
SMILESCC(O)[C@@H]1C(=O)N(CC(=O)c2ccccc2)[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C20H19NO4/c1-13(22)17-18(19(24)15-10-6-3-7-11-15)21(20(17)25)12-16(23)14-8-4-2-5-9-14/h2-11,13,17-18,22H,12H2,1H3/t13?,17-,18+/m0/s1
InChIKeyGAFSIFMUQQQQJN-UGGKNOJYSA-N
MW337.38 g/mol
LogP1.96
Rot. Bonds6

About (3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one

(3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one (PubChem CID 67850729) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one
PubChem CID67850729
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one
SMILESCC(O)[C@@H]1C(=O)N(CC(=O)c2ccccc2)[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C20H19NO4/c1-13(22)17-18(19(24)15-10-6-3-7-11-15)21(20(17)25)12-16(23)14-8-4-2-5-9-14/h2-11,13,17-18,22H,12H2,1H3/t13?,17-,18+/m0/s1
InChIKeyGAFSIFMUQQQQJN-UGGKNOJYSA-N
XLogP1.96
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-benzoyl-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 14084672
4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one
CID 134936672
prop-2-enyl 2-[(3S,4S)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]azetidin-1-yl]acetate
CID 57301775
6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64688348
butane-2,3-diol;diphenylmethanone
CID 175235923
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
4-methylsulfinyl-1-phenacylazetidin-2-one
CID 18781970
2-[(2S,3S)-3-[(1R)-1-hydroxyethyl]-2-[(2R)-1-(4-methylphenyl)-1-sulfanylidenepropan-2-yl]-4-oxoazetidin-1-yl]acetic acid
CID 139933324
[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6348954
[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6565595
4-bromo-3-phenacyl-1,3-thiazolidin-2-one
CID 67846103
[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-methylcyclopropyl]-phenylmethanone
CID 73293861

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one?
The IUPAC name of (3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one (CID 67850729) is (3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one.
What is the SMILES notation for (3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one?
The canonical SMILES for (3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one is CC(O)[C@@H]1C(=O)N(CC(=O)c2ccccc2)[C@H]1C(=O)c1ccccc1.
What is the InChIKey of (3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one?
The InChIKey is GAFSIFMUQQQQJN-UGGKNOJYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13(22)17-18(19(24)15-10-6-3-7-11-15)21(20(17)25)12-16(23)14-8-4-2-5-9-14/h2-11,13,17-18,22H,12H2,1H3/t13?,17-,18+/m0/s1.
What are the key properties of (3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one?
(3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one has a molecular weight of 337.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one is sourced from PubChem (CID 67850729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).