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

C20H22N2O5 — CID 121451871

IUPAC4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide
SMILESCC(=O)c1ccc(C(N)=O)c(Oc2ccc(N3CC(OCCO)C3)cc2)c1
InChIInChI=1S/C20H22N2O5/c1-13(24)14-2-7-18(20(21)25)19(10-14)27-16-5-3-15(4-6-16)22-11-17(12-22)26-9-8-23/h2-7,10,17,23H,8-9,11-12H2,1H3,(H2,21,25)
InChIKeyLCEUBCGDGFREHB-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.98
Rot. Bonds8

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

4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide (PubChem CID 121451871) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide.

Molecular Properties

Compound Name4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide
PubChem CID121451871
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide
SMILESCC(=O)c1ccc(C(N)=O)c(Oc2ccc(N3CC(OCCO)C3)cc2)c1
InChIInChI=1S/C20H22N2O5/c1-13(24)14-2-7-18(20(21)25)19(10-14)27-16-5-3-15(4-6-16)22-11-17(12-22)26-9-8-23/h2-7,10,17,23H,8-9,11-12H2,1H3,(H2,21,25)
InChIKeyLCEUBCGDGFREHB-UHFFFAOYSA-N
XLogP1.98
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide?
The IUPAC name of 4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide (CID 121451871) is 4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide.
What is the SMILES notation for 4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide?
The canonical SMILES for 4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide is CC(=O)c1ccc(C(N)=O)c(Oc2ccc(N3CC(OCCO)C3)cc2)c1.
What is the InChIKey of 4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide?
The InChIKey is LCEUBCGDGFREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13(24)14-2-7-18(20(21)25)19(10-14)27-16-5-3-15(4-6-16)22-11-17(12-22)26-9-8-23/h2-7,10,17,23H,8-9,11-12H2,1H3,(H2,21,25).
What are the key properties of 4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide?
4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide has a molecular weight of 370.41 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[4-[3-(2-hydroxyethoxy)azetidin-1-yl]phenoxy]benzamide is sourced from PubChem (CID 121451871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).