(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one

C19H19NO5 — CID 56670202

IUPAC(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)N2c2ccc3c(c2)OCCO3)c(OC)c1
InChIInChI=1S/C19H19NO5/c1-22-13-4-5-14(17(10-13)23-2)15-11-19(21)20(15)12-3-6-16-18(9-12)25-8-7-24-16/h3-6,9-10,15H,7-8,11H2,1-2H3/t15-/m0/s1
InChIKeyOYONATKUUUMWOQ-HNNXBMFYSA-N
MW341.36 g/mol
LogP2.95
Rot. Bonds4

About (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one

(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one (PubChem CID 56670202) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one
PubChem CID56670202
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)N2c2ccc3c(c2)OCCO3)c(OC)c1
InChIInChI=1S/C19H19NO5/c1-22-13-4-5-14(17(10-13)23-2)15-11-19(21)20(15)12-3-6-16-18(9-12)25-8-7-24-16/h3-6,9-10,15H,7-8,11H2,1-2H3/t15-/m0/s1
InChIKeyOYONATKUUUMWOQ-HNNXBMFYSA-N
XLogP2.95
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one?
The IUPAC name of (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one (CID 56670202) is (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one is COc1ccc([C@@H]2CC(=O)N2c2ccc3c(c2)OCCO3)c(OC)c1.
What is the InChIKey of (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one?
The InChIKey is OYONATKUUUMWOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-13-4-5-14(17(10-13)23-2)15-11-19(21)20(15)12-3-6-16-18(9-12)25-8-7-24-16/h3-6,9-10,15H,7-8,11H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one?
(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one has a molecular weight of 341.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 56670202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).