2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C26H39N3O2 — CID 9339770

IUPAC2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C)c1
InChIInChI=1S/C26H39N3O2/c1-16-6-17(2)25(18(3)7-16)28-24(31)15-29(5)14-23(30)27-19(4)26-11-20-8-21(12-26)10-22(9-20)13-26/h6-7,19-22H,8-15H2,1-5H3,(H,27,30)(H,28,31)/t19-,20?,21?,22?,26?/m0/s1
InChIKeyFQXPZVCJXFKTTJ-UREPRSOHSA-N
MW425.62 g/mol
LogP4.20
Rot. Bonds7

About 2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 9339770) has the molecular formula C26H39N3O2 and a molecular weight of 425.62 g/mol. Its IUPAC name is 2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID9339770
Molecular FormulaC26H39N3O2
Molecular Weight425.62 g/mol
Exact Mass425.30
IUPAC Name2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C)c1
InChIInChI=1S/C26H39N3O2/c1-16-6-17(2)25(18(3)7-16)28-24(31)15-29(5)14-23(30)27-19(4)26-11-20-8-21(12-26)10-22(9-20)13-26/h6-7,19-22H,8-15H2,1-5H3,(H,27,30)(H,28,31)/t19-,20?,21?,22?,26?/m0/s1
InChIKeyFQXPZVCJXFKTTJ-UREPRSOHSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622732
2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710546
2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8635329
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-[methyl-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9043889
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 31380806
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710584
2-[cyclobutylmethyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 171998632
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796052
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
N-[1-(1-adamantyl)ethyl]-2,4-dimethylbenzamide
CID 3647377

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 9339770) is 2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C)c1.
What is the InChIKey of 2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is FQXPZVCJXFKTTJ-UREPRSOHSA-N. The full InChI is InChI=1S/C26H39N3O2/c1-16-6-17(2)25(18(3)7-16)28-24(31)15-29(5)14-23(30)27-19(4)26-11-20-8-21(12-26)10-22(9-20)13-26/h6-7,19-22H,8-15H2,1-5H3,(H,27,30)(H,28,31)/t19-,20?,21?,22?,26?/m0/s1.
What are the key properties of 2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 425.62 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 9339770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).