(2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde

C19H19NO3 — CID 102380685

IUPAC(2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde
SMILESCC[C@]1(c2ccccc2)C(=O)N(c2ccc(OC)cc2)[C@H]1C=O
InChIInChI=1S/C19H19NO3/c1-3-19(14-7-5-4-6-8-14)17(13-21)20(18(19)22)15-9-11-16(23-2)12-10-15/h4-13,17H,3H2,1-2H3/t17-,19+/m0/s1
InChIKeyFODOITGZWRRSHW-PKOBYXMFSA-N
MW309.37 g/mol
LogP2.96
Rot. Bonds5

About (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde

(2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde (PubChem CID 102380685) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde
PubChem CID102380685
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde
SMILESCC[C@]1(c2ccccc2)C(=O)N(c2ccc(OC)cc2)[C@H]1C=O
InChIInChI=1S/C19H19NO3/c1-3-19(14-7-5-4-6-8-14)17(13-21)20(18(19)22)15-9-11-16(23-2)12-10-15/h4-13,17H,3H2,1-2H3/t17-,19+/m0/s1
InChIKeyFODOITGZWRRSHW-PKOBYXMFSA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-3,3-dichloro-1-(4-methoxyphenyl)-4-oxoazetidine-2-carbaldehyde
CID 101046905
ethyl (3S,4S)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]-3-phenylsulfanylazetidine-3-carboxylate
CID 11590704
(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one
CID 155071229
(3S,4R)-3-(4-methoxyphenyl)-1,4-diphenyl-3-(2-phenylprop-2-enyl)azetidin-2-one
CID 162417821
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
CID 10403184
ethyl (E)-3-[(2S,3R,4R)-4-hydroxy-1-(4-methoxyphenyl)-5-oxo-2,4-diphenylpyrrolidin-3-yl]prop-2-enoate
CID 102341028
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
CID 102160186
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
ethyl (2S,3R)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085696

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde?
The IUPAC name of (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde (CID 102380685) is (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde.
What is the SMILES notation for (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde?
The canonical SMILES for (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde is CC[C@]1(c2ccccc2)C(=O)N(c2ccc(OC)cc2)[C@H]1C=O.
What is the InChIKey of (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde?
The InChIKey is FODOITGZWRRSHW-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-19(14-7-5-4-6-8-14)17(13-21)20(18(19)22)15-9-11-16(23-2)12-10-15/h4-13,17H,3H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde?
(2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde has a molecular weight of 309.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidine-2-carbaldehyde is sourced from PubChem (CID 102380685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).