(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one

C22H24N2O6 — CID 102496056

IUPAC(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](OC)[C@@H]2[C@H]2[C@@H](OC)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N2O6/c1-27-15-9-5-13(6-10-15)23-17(19(29-3)21(23)25)18-20(30-4)22(26)24(18)14-7-11-16(28-2)12-8-14/h5-12,17-20H,1-4H3/t17-,18-,19+,20+/m0/s1
InChIKeyBKQNYCHILGYOSR-VNTMZGSJSA-N
MW412.44 g/mol
LogP1.86
Rot. Bonds7

About (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one

(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one (PubChem CID 102496056) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
PubChem CID102496056
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](OC)[C@@H]2[C@H]2[C@@H](OC)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N2O6/c1-27-15-9-5-13(6-10-15)23-17(19(29-3)21(23)25)18-20(30-4)22(26)24(18)14-7-11-16(28-2)12-8-14/h5-12,17-20H,1-4H3/t17-,18-,19+,20+/m0/s1
InChIKeyBKQNYCHILGYOSR-VNTMZGSJSA-N
XLogP1.86
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one (CID 102496056) is (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one is COc1ccc(N2C(=O)[C@H](OC)[C@@H]2[C@H]2[C@@H](OC)C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is BKQNYCHILGYOSR-VNTMZGSJSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-27-15-9-5-13(6-10-15)23-17(19(29-3)21(23)25)18-20(30-4)22(26)24(18)14-7-11-16(28-2)12-8-14/h5-12,17-20H,1-4H3/t17-,18-,19+,20+/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one?
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 412.44 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 102496056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).