methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate

C19H21NO4 — CID 8920295

IUPACmethyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CCOc2ccccc2C)c1
InChIInChI=1S/C19H21NO4/c1-13-8-9-15(19(22)23-3)12-16(13)20-18(21)10-11-24-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,20,21)
InChIKeyKZQLMLIAOQRUOI-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.50
Rot. Bonds6

About methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate

methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate (PubChem CID 8920295) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate
PubChem CID8920295
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CCOc2ccccc2C)c1
InChIInChI=1S/C19H21NO4/c1-13-8-9-15(19(22)23-3)12-16(13)20-18(21)10-11-24-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,20,21)
InChIKeyKZQLMLIAOQRUOI-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

methyl 4-methyl-3-(4-phenoxybutanoylamino)benzoate
CID 2673216
methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 7840872
methyl 4-methyl-3-(4-phenylsulfanylbutanoylamino)benzoate
CID 18279293
methyl 4-methyl-3-(pentanoylamino)benzoate
CID 8920189
methyl 3-(4-hydroxybutanoylamino)-4-methylbenzoate
CID 79204686
N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 16793907
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
methyl 4-methyl-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]benzoate
CID 9378196
methyl 3-[3-(ethylamino)propanoylamino]-4-methylbenzoate
CID 62833574
methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate
CID 7382502
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 26358946

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate?
The IUPAC name of methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate (CID 8920295) is methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate is COC(=O)c1ccc(C)c(NC(=O)CCOc2ccccc2C)c1.
What is the InChIKey of methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate?
The InChIKey is KZQLMLIAOQRUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-8-9-15(19(22)23-3)12-16(13)20-18(21)10-11-24-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,20,21).
What are the key properties of methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate?
methyl 4-methyl-3-[3-(2-methylphenoxy)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 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 8920295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).