(3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C26H27NO5 — CID 54577830

IUPAC(3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCCOc1ccc([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C26H27NO5/c1-5-32-20-13-11-18(12-14-20)24-23(17-9-7-6-8-10-17)26(28)27(24)19-15-21(29-2)25(31-4)22(16-19)30-3/h6-16,23-24H,5H2,1-4H3/t23-,24-/m1/s1
InChIKeyUXGMWOMOIXQARM-DNQXCXABSA-N
MW433.50 g/mol
LogP4.98
Rot. Bonds8

About (3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

(3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 54577830) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is (3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID54577830
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name(3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCCOc1ccc([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C26H27NO5/c1-5-32-20-13-11-18(12-14-20)24-23(17-9-7-6-8-10-17)26(28)27(24)19-15-21(29-2)25(31-4)22(16-19)30-3/h6-16,23-24H,5H2,1-4H3/t23-,24-/m1/s1
InChIKeyUXGMWOMOIXQARM-DNQXCXABSA-N
XLogP4.98
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 54577830) is (3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is CCOc1ccc([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of (3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is UXGMWOMOIXQARM-DNQXCXABSA-N. The full InChI is InChI=1S/C26H27NO5/c1-5-32-20-13-11-18(12-14-20)24-23(17-9-7-6-8-10-17)26(28)27(24)19-15-21(29-2)25(31-4)22(16-19)30-3/h6-16,23-24H,5H2,1-4H3/t23-,24-/m1/s1.
What are the key properties of (3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
(3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 433.50 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-ethoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 54577830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).