N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

C15H22N2O3 — CID 102611343

IUPACN-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCOc1c(C)ccc(NC(=O)COC2(C)CNC2)c1C
InChIInChI=1S/C15H22N2O3/c1-10-5-6-12(11(2)14(10)19-4)17-13(18)7-20-15(3)8-16-9-15/h5-6,16H,7-9H2,1-4H3,(H,17,18)
InChIKeyXTDQDPFMWDSQKE-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.63
Rot. Bonds5

About N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102611343) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102611343
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCOc1c(C)ccc(NC(=O)COC2(C)CNC2)c1C
InChIInChI=1S/C15H22N2O3/c1-10-5-6-12(11(2)14(10)19-4)17-13(18)7-20-15(3)8-16-9-15/h5-6,16H,7-9H2,1-4H3,(H,17,18)
InChIKeyXTDQDPFMWDSQKE-UHFFFAOYSA-N
XLogP1.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102611343) is N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is COc1c(C)ccc(NC(=O)COC2(C)CNC2)c1C.
What is the InChIKey of N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is XTDQDPFMWDSQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-5-6-12(11(2)14(10)19-4)17-13(18)7-20-15(3)8-16-9-15/h5-6,16H,7-9H2,1-4H3,(H,17,18).
What are the key properties of N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102611343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).