N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

C15H21N3O3 — CID 102611178

IUPACN-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC(=O)Nc1cc(NC(=O)COC2(C)CNC2)ccc1C
InChIInChI=1S/C15H21N3O3/c1-10-4-5-12(6-13(10)17-11(2)19)18-14(20)7-21-15(3)8-16-9-15/h4-6,16H,7-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWYFFKIHPBIGERH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.27
Rot. Bonds5

About N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102611178) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102611178
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC(=O)Nc1cc(NC(=O)COC2(C)CNC2)ccc1C
InChIInChI=1S/C15H21N3O3/c1-10-4-5-12(6-13(10)17-11(2)19)18-14(20)7-21-15(3)8-16-9-15/h4-6,16H,7-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWYFFKIHPBIGERH-UHFFFAOYSA-N
XLogP1.27
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylazetidin-3-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 102611018
N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 114257326
2-(3-methylazetidin-3-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
CID 102610693
methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
CID 102610803
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655770
N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611343
N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83066087
N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610758
N-(3-fluoro-4-methoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611096
N-(3-acetamido-4-methylphenyl)-2-(azetidin-3-yl)acetamide
CID 64618777
N-(3-ethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610774
N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655731

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102611178) is N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is CC(=O)Nc1cc(NC(=O)COC2(C)CNC2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is WYFFKIHPBIGERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-4-5-12(6-13(10)17-11(2)19)18-14(20)7-21-15(3)8-16-9-15/h4-6,16H,7-9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 291.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102611178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).