N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane

C21H28N2O2 — CID 123156478

IUPACN,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane
SMILESCC.CN1CC(Oc2cc(-c3ccccc3)ccc2C(=O)N(C)C)C1
InChIInChI=1S/C19H22N2O2.C2H6/c1-20(2)19(22)17-10-9-15(14-7-5-4-6-8-14)11-18(17)23-16-12-21(3)13-16;1-2/h4-11,16H,12-13H2,1-3H3;1-2H3
InChIKeyKBTNHULMTGMUDY-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.77
Rot. Bonds4

About N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane

N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane (PubChem CID 123156478) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane
PubChem CID123156478
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane
SMILESCC.CN1CC(Oc2cc(-c3ccccc3)ccc2C(=O)N(C)C)C1
InChIInChI=1S/C19H22N2O2.C2H6/c1-20(2)19(22)17-10-9-15(14-7-5-4-6-8-14)11-18(17)23-16-12-21(3)13-16;1-2/h4-11,16H,12-13H2,1-3H3;1-2H3
InChIKeyKBTNHULMTGMUDY-UHFFFAOYSA-N
XLogP3.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane?
The IUPAC name of N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane (CID 123156478) is N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane.
What is the SMILES notation for N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane?
The canonical SMILES for N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane is CC.CN1CC(Oc2cc(-c3ccccc3)ccc2C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane?
The InChIKey is KBTNHULMTGMUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.C2H6/c1-20(2)19(22)17-10-9-15(14-7-5-4-6-8-14)11-18(17)23-16-12-21(3)13-16;1-2/h4-11,16H,12-13H2,1-3H3;1-2H3.
What are the key properties of N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane?
N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane has a molecular weight of 340.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane is sourced from PubChem (CID 123156478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).