[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate

C20H24N2O6 — CID 9289451

IUPAC[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C20H24N2O6/c1-21-15-8-6-5-7-14(15)20(24)28-12-19(23)22-11-13-9-17(26-3)18(27-4)10-16(13)25-2/h5-10,21H,11-12H2,1-4H3,(H,22,23)
InChIKeyYKTBGEMGIMXORW-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.23
Rot. Bonds9

About [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate

[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate (PubChem CID 9289451) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate
PubChem CID9289451
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C20H24N2O6/c1-21-15-8-6-5-7-14(15)20(24)28-12-19(23)22-11-13-9-17(26-3)18(27-4)10-16(13)25-2/h5-10,21H,11-12H2,1-4H3,(H,22,23)
InChIKeyYKTBGEMGIMXORW-UHFFFAOYSA-N
XLogP2.23
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate
CID 27893431
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2353384
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate
CID 9230124
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 2542711
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(methylamino)benzoate
CID 2542769
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953621
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203446
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
[2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7395034
2-hydroxy-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18116275
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18201736
2-naphthalen-2-yloxy-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 7583241

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate?
The IUPAC name of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate (CID 9289451) is [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate.
What is the SMILES notation for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate?
The canonical SMILES for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCC(=O)NCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate?
The InChIKey is YKTBGEMGIMXORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-21-15-8-6-5-7-14(15)20(24)28-12-19(23)22-11-13-9-17(26-3)18(27-4)10-16(13)25-2/h5-10,21H,11-12H2,1-4H3,(H,22,23).
What are the key properties of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate?
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate has a molecular weight of 388.42 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate is sourced from PubChem (CID 9289451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).