[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

C24H31NO4 — CID 7755342

IUPAC[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCc1ccc(C)c(C(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H31NO4/c1-15-3-4-16(2)20(5-15)21(26)14-29-23(28)13-25-22(27)12-24-9-17-6-18(10-24)8-19(7-17)11-24/h3-5,17-19H,6-14H2,1-2H3,(H,25,27)
InChIKeyUHIGAMMURJMXSB-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.75
Rot. Bonds7

About [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 7755342) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID7755342
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCc1ccc(C)c(C(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H31NO4/c1-15-3-4-16(2)20(5-15)21(26)14-29-23(28)13-25-22(27)12-24-9-17-6-18(10-24)8-19(7-17)11-24/h3-5,17-19H,6-14H2,1-2H3,(H,25,27)
InChIKeyUHIGAMMURJMXSB-UHFFFAOYSA-N
XLogP3.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate with MolForge

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Related Compounds

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9127603
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 4790414
[2-(4-fluorophenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251646
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 42007014
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
CID 3829044
[2-(4-ethylanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251677
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate
CID 2625404
[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55355829
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360351
2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755309
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7603650
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309468

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 7755342) is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is Cc1ccc(C)c(C(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is UHIGAMMURJMXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-15-3-4-16(2)20(5-15)21(26)14-29-23(28)13-25-22(27)12-24-9-17-6-18(10-24)8-19(7-17)11-24/h3-5,17-19H,6-14H2,1-2H3,(H,25,27).
What are the key properties of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 397.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 7755342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).