methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate

C20H23NO4 — CID 4787643

IUPACmethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C20H23NO4/c1-13(2)17-9-8-14(3)10-18(17)25-12-19(22)21-16-7-5-6-15(11-16)20(23)24-4/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyFLMTXAUEMQZGLT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.92
Rot. Bonds6

About methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate

methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate (PubChem CID 4787643) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
PubChem CID4787643
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C20H23NO4/c1-13(2)17-9-8-14(3)10-18(17)25-12-19(22)21-16-7-5-6-15(11-16)20(23)24-4/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyFLMTXAUEMQZGLT-UHFFFAOYSA-N
XLogP3.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 17066452
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26164580
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17198816
[2-(3-acetylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839422
N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231324
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877767
methyl 3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 730025
methyl 3-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 7751819
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7929725

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate (CID 4787643) is methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1.
What is the InChIKey of methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate?
The InChIKey is FLMTXAUEMQZGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(2)17-9-8-14(3)10-18(17)25-12-19(22)21-16-7-5-6-15(11-16)20(23)24-4/h5-11,13H,12H2,1-4H3,(H,21,22).
What are the key properties of methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate?
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 4787643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).