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

C18H18N2O4 — CID 121461051

IUPAC4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide
SMILESCC(=O)c1ccc(C(N)=O)cc1Oc1ccc(N2CC(O)C2)cc1
InChIInChI=1S/C18H18N2O4/c1-11(21)16-7-2-12(18(19)23)8-17(16)24-15-5-3-13(4-6-15)20-9-14(22)10-20/h2-8,14,22H,9-10H2,1H3,(H2,19,23)
InChIKeyMYEFDTSADBKGQT-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.96
Rot. Bonds5

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

4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide (PubChem CID 121461051) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide.

Molecular Properties

Compound Name4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide
PubChem CID121461051
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide
SMILESCC(=O)c1ccc(C(N)=O)cc1Oc1ccc(N2CC(O)C2)cc1
InChIInChI=1S/C18H18N2O4/c1-11(21)16-7-2-12(18(19)23)8-17(16)24-15-5-3-13(4-6-15)20-9-14(22)10-20/h2-8,14,22H,9-10H2,1H3,(H2,19,23)
InChIKeyMYEFDTSADBKGQT-UHFFFAOYSA-N
XLogP1.96
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide?
The IUPAC name of 4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide (CID 121461051) is 4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide.
What is the SMILES notation for 4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide?
The canonical SMILES for 4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide is CC(=O)c1ccc(C(N)=O)cc1Oc1ccc(N2CC(O)C2)cc1.
What is the InChIKey of 4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide?
The InChIKey is MYEFDTSADBKGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11(21)16-7-2-12(18(19)23)8-17(16)24-15-5-3-13(4-6-15)20-9-14(22)10-20/h2-8,14,22H,9-10H2,1H3,(H2,19,23).
What are the key properties of 4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide?
4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide has a molecular weight of 326.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-[4-(3-hydroxyazetidin-1-yl)phenoxy]benzamide is sourced from PubChem (CID 121461051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).