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

C21H25NO6 — CID 9230124

IUPAC[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NCc2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C21H25NO6/c1-5-14-6-8-15(9-7-14)21(24)28-13-20(23)22-12-16-10-18(26-3)19(27-4)11-17(16)25-2/h6-11H,5,12-13H2,1-4H3,(H,22,23)
InChIKeySDEXYVWIGAXJQN-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.75
Rot. Bonds9

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

[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate (PubChem CID 9230124) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate
PubChem CID9230124
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NCc2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C21H25NO6/c1-5-14-6-8-15(9-7-14)21(24)28-13-20(23)22-12-16-10-18(26-3)19(27-4)11-17(16)25-2/h6-11H,5,12-13H2,1-4H3,(H,22,23)
InChIKeySDEXYVWIGAXJQN-UHFFFAOYSA-N
XLogP2.75
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 2607192
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230095
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-ethylbenzoate
CID 2607173
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate
CID 9289451
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
CID 71820618
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7523020
3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121489
[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860529
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200563
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566071

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate?
The IUPAC name of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate (CID 9230124) is [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate?
The canonical SMILES for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OCC(=O)NCc2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate?
The InChIKey is SDEXYVWIGAXJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-5-14-6-8-15(9-7-14)21(24)28-13-20(23)22-12-16-10-18(26-3)19(27-4)11-17(16)25-2/h6-11H,5,12-13H2,1-4H3,(H,22,23).
What are the key properties of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate?
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate has a molecular weight of 387.43 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate is sourced from PubChem (CID 9230124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).