methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate

C19H21NO4 — CID 26240710

IUPACmethyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCOc2cc(C)ccc2C)c1
InChIInChI=1S/C19H21NO4/c1-13-7-8-14(2)17(11-13)24-10-9-18(21)20-16-6-4-5-15(12-16)19(22)23-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,21)
InChIKeyIDWBLEPPRXBOMO-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.50
Rot. Bonds6

About methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate

methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate (PubChem CID 26240710) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate
PubChem CID26240710
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCOc2cc(C)ccc2C)c1
InChIInChI=1S/C19H21NO4/c1-13-7-8-14(2)17(11-13)24-10-9-18(21)20-16-6-4-5-15(12-16)19(22)23-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,21)
InChIKeyIDWBLEPPRXBOMO-UHFFFAOYSA-N
XLogP3.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 7946465
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 16790811
3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 27334719
dimethyl 5-[3-(2,4-dimethylphenoxy)propanoylamino]benzene-1,3-dicarboxylate
CID 30839966
propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167371
dimethyl 5-[[2-[3-(2,5-dimethylphenoxy)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 55317889
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218964
methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate
CID 55561380
N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 39736119
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate?
The IUPAC name of methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate (CID 26240710) is methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate.
What is the SMILES notation for methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate?
The canonical SMILES for methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate is COC(=O)c1cccc(NC(=O)CCOc2cc(C)ccc2C)c1.
What is the InChIKey of methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate?
The InChIKey is IDWBLEPPRXBOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-7-8-14(2)17(11-13)24-10-9-18(21)20-16-6-4-5-15(12-16)19(22)23-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,21).
What are the key properties of methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate?
methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 26240710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).