(3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one

C22H28N2O3 — CID 101388589

IUPAC(3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
SMILESCCN(CC)C[C@H]1[C@@H](OCc2ccccc2)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C22H28N2O3/c1-4-23(5-2)15-20-21(27-16-17-9-7-6-8-10-17)22(25)24(20)18-11-13-19(26-3)14-12-18/h6-14,20-21H,4-5,15-16H2,1-3H3/t20-,21+/m0/s1
InChIKeyFXTKCPQRCNRNNZ-LEWJYISDSA-N
MW368.48 g/mol
LogP3.34
Rot. Bonds9

About (3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one

(3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one (PubChem CID 101388589) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
PubChem CID101388589
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
SMILESCCN(CC)C[C@H]1[C@@H](OCc2ccccc2)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C22H28N2O3/c1-4-23(5-2)15-20-21(27-16-17-9-7-6-8-10-17)22(25)24(20)18-11-13-19(26-3)14-12-18/h6-14,20-21H,4-5,15-16H2,1-3H3/t20-,21+/m0/s1
InChIKeyFXTKCPQRCNRNNZ-LEWJYISDSA-N
XLogP3.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(iodomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 11452971
(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
CID 10403184
(3S,4R)-4-ethynyl-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 15470886
methyl (2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carboxylate
CID 100915474
(3R,4S)-1-(4-methoxyphenyl)-4-[(4S,5S)-5-[(2S,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one
CID 10462050
(3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one
CID 10361544
(3R,4S)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10363803
(3R,4S)-4-[(1S,2S)-1-amino-2-hydroxy-2-phenylethyl]-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 11048031
(3S,4S)-1-(4-methoxyphenyl)-4-[3-[(S)-(4-methylphenyl)sulfinyl]furan-2-yl]-3-phenylmethoxyazetidin-2-one
CID 10907071
(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10379085
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate
CID 102569820

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one (CID 101388589) is (3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one is CCN(CC)C[C@H]1[C@@H](OCc2ccccc2)C(=O)N1c1ccc(OC)cc1.
What is the InChIKey of (3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one?
The InChIKey is FXTKCPQRCNRNNZ-LEWJYISDSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-23(5-2)15-20-21(27-16-17-9-7-6-8-10-17)22(25)24(20)18-11-13-19(26-3)14-12-18/h6-14,20-21H,4-5,15-16H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of (3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one?
(3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one has a molecular weight of 368.48 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(diethylaminomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 101388589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).