[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone

C26H28N2O3 — CID 59634050

IUPAC[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone
SMILESCCc1ccc(COc2ccc(C3CN(C(=O)c4cc(C)ccn4)C3)cc2OC)cc1
InChIInChI=1S/C26H28N2O3/c1-4-19-5-7-20(8-6-19)17-31-24-10-9-21(14-25(24)30-3)22-15-28(16-22)26(29)23-13-18(2)11-12-27-23/h5-14,22H,4,15-17H2,1-3H3
InChIKeyPHJOLWRZXUQMLX-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.78
Rot. Bonds7

About [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone

[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone (PubChem CID 59634050) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone
PubChem CID59634050
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone
SMILESCCc1ccc(COc2ccc(C3CN(C(=O)c4cc(C)ccn4)C3)cc2OC)cc1
InChIInChI=1S/C26H28N2O3/c1-4-19-5-7-20(8-6-19)17-31-24-10-9-21(14-25(24)30-3)22-15-28(16-22)26(29)23-13-18(2)11-12-27-23/h5-14,22H,4,15-17H2,1-3H3
InChIKeyPHJOLWRZXUQMLX-UHFFFAOYSA-N
XLogP4.78
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone (CID 59634050) is [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone is CCc1ccc(COc2ccc(C3CN(C(=O)c4cc(C)ccn4)C3)cc2OC)cc1.
What is the InChIKey of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone?
The InChIKey is PHJOLWRZXUQMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-4-19-5-7-20(8-6-19)17-31-24-10-9-21(14-25(24)30-3)22-15-28(16-22)26(29)23-13-18(2)11-12-27-23/h5-14,22H,4,15-17H2,1-3H3.
What are the key properties of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone?
[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone has a molecular weight of 416.52 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(4-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 59634050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).