methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate

C15H20N2O4 — CID 102610803

IUPACmethyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COC2(C)CNC2)c1
InChIInChI=1S/C15H20N2O4/c1-10-4-5-11(14(19)20-3)6-12(10)17-13(18)7-21-15(2)8-16-9-15/h4-6,16H,7-9H2,1-3H3,(H,17,18)
InChIKeyPOBXLGHKLYBWQL-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.10
Rot. Bonds5

About methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate

methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate (PubChem CID 102610803) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
PubChem CID102610803
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COC2(C)CNC2)c1
InChIInChI=1S/C15H20N2O4/c1-10-4-5-11(14(19)20-3)6-12(10)17-13(18)7-21-15(2)8-16-9-15/h4-6,16H,7-9H2,1-3H3,(H,17,18)
InChIKeyPOBXLGHKLYBWQL-UHFFFAOYSA-N
XLogP1.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate with MolForge

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Related Compounds

N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 114257326
N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611178
N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611343
methyl 3-[[2-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]oxyacetyl]amino]-4-methylbenzoate
CID 7863945
2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide
CID 102655811
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 806985
methyl 3-[3-(ethylamino)propanoylamino]-4-methylbenzoate
CID 62833574
2-(3-methylazetidin-3-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 102611018
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7458908
2-(3-methylazetidin-3-yl)oxy-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 102656577
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate
CID 33057679
methyl 4-methyl-3-(pentanoylamino)benzoate
CID 8920189

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate (CID 102610803) is methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)COC2(C)CNC2)c1.
What is the InChIKey of methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate?
The InChIKey is POBXLGHKLYBWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-4-5-11(14(19)20-3)6-12(10)17-13(18)7-21-15(2)8-16-9-15/h4-6,16H,7-9H2,1-3H3,(H,17,18).
What are the key properties of methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate?
methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate has a molecular weight of 292.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 102610803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).