[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

C26H36N2O7 — CID 34779349

IUPAC[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H36N2O7/c1-32-20-8-22(34-3)21(33-2)7-19(20)13-27-24(30)15-35-25(31)14-28-23(29)12-26-9-16-4-17(10-26)6-18(5-16)11-26/h7-8,16-18H,4-6,9-15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyFOGRQWQFQMDCDY-UHFFFAOYSA-N
MW488.58 g/mol
LogP2.59
Rot. Bonds11

About [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 34779349) has the molecular formula C26H36N2O7 and a molecular weight of 488.58 g/mol. Its IUPAC name is [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID34779349
Molecular FormulaC26H36N2O7
Molecular Weight488.58 g/mol
Exact Mass488.25
IUPAC Name[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H36N2O7/c1-32-20-8-22(34-3)21(33-2)7-19(20)13-27-24(30)15-35-25(31)14-28-23(29)12-26-9-16-4-17(10-26)6-18(5-16)11-26/h7-8,16-18H,4-6,9-15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyFOGRQWQFQMDCDY-UHFFFAOYSA-N
XLogP2.59
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate with MolForge

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Related Compounds

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 4790414
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360322
(5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309705
N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide
CID 31340572
[2-(4-ethylanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251677
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360351
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7603650
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755342
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 27928656
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(1-adamantyl)acetate
CID 23936826
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360297
[2-(4-fluorophenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251646

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 34779349) is [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is FOGRQWQFQMDCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O7/c1-32-20-8-22(34-3)21(33-2)7-19(20)13-27-24(30)15-35-25(31)14-28-23(29)12-26-9-16-4-17(10-26)6-18(5-16)11-26/h7-8,16-18H,4-6,9-15H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 488.58 g/mol, XLogP of 2.59, 11 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-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 34779349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).