4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide

C21H24N2O4 — CID 122415142

IUPAC4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide
SMILESCCCOC1CN(c2ccc(Oc3cc(C(C)=O)ccc3C(N)=O)cc2)C1
InChIInChI=1S/C21H24N2O4/c1-3-10-26-18-12-23(13-18)16-5-7-17(8-6-16)27-20-11-15(14(2)24)4-9-19(20)21(22)25/h4-9,11,18H,3,10,12-13H2,1-2H3,(H2,22,25)
InChIKeyGBNIAEYIYLXXOR-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.40
Rot. Bonds8

About 4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide

4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide (PubChem CID 122415142) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide.

Molecular Properties

Compound Name4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide
PubChem CID122415142
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide
SMILESCCCOC1CN(c2ccc(Oc3cc(C(C)=O)ccc3C(N)=O)cc2)C1
InChIInChI=1S/C21H24N2O4/c1-3-10-26-18-12-23(13-18)16-5-7-17(8-6-16)27-20-11-15(14(2)24)4-9-19(20)21(22)25/h4-9,11,18H,3,10,12-13H2,1-2H3,(H2,22,25)
InChIKeyGBNIAEYIYLXXOR-UHFFFAOYSA-N
XLogP3.40
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide?
The IUPAC name of 4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide (CID 122415142) is 4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide.
What is the SMILES notation for 4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide?
The canonical SMILES for 4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide is CCCOC1CN(c2ccc(Oc3cc(C(C)=O)ccc3C(N)=O)cc2)C1.
What is the InChIKey of 4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide?
The InChIKey is GBNIAEYIYLXXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-10-26-18-12-23(13-18)16-5-7-17(8-6-16)27-20-11-15(14(2)24)4-9-19(20)21(22)25/h4-9,11,18H,3,10,12-13H2,1-2H3,(H2,22,25).
What are the key properties of 4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide?
4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[4-(3-propoxyazetidin-1-yl)phenoxy]benzamide is sourced from PubChem (CID 122415142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).