4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide

C20H23N3O3 — CID 91830017

IUPAC4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide
SMILESCCc1cccc(OC2CN(CC(=O)Nc3ccc(C(N)=O)cc3)C2)c1
InChIInChI=1S/C20H23N3O3/c1-2-14-4-3-5-17(10-14)26-18-11-23(12-18)13-19(24)22-16-8-6-15(7-9-16)20(21)25/h3-10,18H,2,11-13H2,1H3,(H2,21,25)(H,22,24)
InChIKeyZWNLBHQGYVTRMR-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.05
Rot. Bonds7

About 4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide

4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide (PubChem CID 91830017) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide
PubChem CID91830017
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide
SMILESCCc1cccc(OC2CN(CC(=O)Nc3ccc(C(N)=O)cc3)C2)c1
InChIInChI=1S/C20H23N3O3/c1-2-14-4-3-5-17(10-14)26-18-11-23(12-18)13-19(24)22-16-8-6-15(7-9-16)20(21)25/h3-10,18H,2,11-13H2,1H3,(H2,21,25)(H,22,24)
InChIKeyZWNLBHQGYVTRMR-UHFFFAOYSA-N
XLogP2.05
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide (CID 91830017) is 4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide is CCc1cccc(OC2CN(CC(=O)Nc3ccc(C(N)=O)cc3)C2)c1.
What is the InChIKey of 4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide?
The InChIKey is ZWNLBHQGYVTRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-14-4-3-5-17(10-14)26-18-11-23(12-18)13-19(24)22-16-8-6-15(7-9-16)20(21)25/h3-10,18H,2,11-13H2,1H3,(H2,21,25)(H,22,24).
What are the key properties of 4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide?
4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 91830017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).