[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

C24H31NO6 — CID 4790414

IUPAC[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1OC
InChIInChI=1S/C24H31NO6/c1-29-20-4-3-18(8-21(20)30-2)19(26)14-31-23(28)13-25-22(27)12-24-9-15-5-16(10-24)7-17(6-15)11-24/h3-4,8,15-17H,5-7,9-14H2,1-2H3,(H,25,27)
InChIKeyDTXIMWLXWCJGOP-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.15
Rot. Bonds9

About [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 4790414) has the molecular formula C24H31NO6 and a molecular weight of 429.51 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID4790414
Molecular FormulaC24H31NO6
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1OC
InChIInChI=1S/C24H31NO6/c1-29-20-4-3-18(8-21(20)30-2)19(26)14-31-23(28)13-25-22(27)12-24-9-15-5-16(10-24)7-17(6-15)11-24/h3-4,8,15-17H,5-7,9-14H2,1-2H3,(H,25,27)
InChIKeyDTXIMWLXWCJGOP-UHFFFAOYSA-N
XLogP3.15
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate with MolForge

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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251646
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 34779349
(5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309705
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755342
2-[4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 9086076
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807666
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360322
2-(1-adamantyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]acetamide
CID 9468448
N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide
CID 26177229
[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

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 4790414) is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is COc1ccc(C(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is DTXIMWLXWCJGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO6/c1-29-20-4-3-18(8-21(20)30-2)19(26)14-31-23(28)13-25-22(27)12-24-9-15-5-16(10-24)7-17(6-15)11-24/h3-4,8,15-17H,5-7,9-14H2,1-2H3,(H,25,27).
What are the key properties of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 429.51 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 4790414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).