(4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C29H27NO5 — CID 54585323

IUPAC(4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2C(c3ccc4ccccc4c3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C29H27NO5/c1-32-23-13-11-19(12-14-23)27-26(21-10-9-18-7-5-6-8-20(18)15-21)29(31)30(27)22-16-24(33-2)28(35-4)25(17-22)34-3/h5-17,26-27H,1-4H3/t26?,27-/m1/s1
InChIKeyKDMTUBWYUPNEAZ-SSYAZFEXSA-N
MW469.54 g/mol
LogP5.75
Rot. Bonds7

About (4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

(4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 54585323) has the molecular formula C29H27NO5 and a molecular weight of 469.54 g/mol. Its IUPAC name is (4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID54585323
Molecular FormulaC29H27NO5
Molecular Weight469.54 g/mol
Exact Mass469.19
IUPAC Name(4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2C(c3ccc4ccccc4c3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C29H27NO5/c1-32-23-13-11-19(12-14-23)27-26(21-10-9-18-7-5-6-8-20(18)15-21)29(31)30(27)22-16-24(33-2)28(35-4)25(17-22)34-3/h5-17,26-27H,1-4H3/t26?,27-/m1/s1
InChIKeyKDMTUBWYUPNEAZ-SSYAZFEXSA-N
XLogP5.75
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of (4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 54585323) is (4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc([C@@H]2C(c3ccc4ccccc4c3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of (4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is KDMTUBWYUPNEAZ-SSYAZFEXSA-N. The full InChI is InChI=1S/C29H27NO5/c1-32-23-13-11-19(12-14-23)27-26(21-10-9-18-7-5-6-8-20(18)15-21)29(31)30(27)22-16-24(33-2)28(35-4)25(17-22)34-3/h5-17,26-27H,1-4H3/t26?,27-/m1/s1.
What are the key properties of (4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
(4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 469.54 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 54585323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).