[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

C23H36N2O4 — CID 7251696

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCN(C(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C1CCCCC1
InChIInChI=1S/C23H36N2O4/c1-25(19-5-3-2-4-6-19)21(27)15-29-22(28)14-24-20(26)13-23-10-16-7-17(11-23)9-18(8-16)12-23/h16-19H,2-15H2,1H3,(H,24,26)
InChIKeyKWCVUQOOMWXLSD-UHFFFAOYSA-N
MW404.55 g/mol
LogP3.04
Rot. Bonds7

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 7251696) has the molecular formula C23H36N2O4 and a molecular weight of 404.55 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID7251696
Molecular FormulaC23H36N2O4
Molecular Weight404.55 g/mol
Exact Mass404.27
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCN(C(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C1CCCCC1
InChIInChI=1S/C23H36N2O4/c1-25(19-5-3-2-4-6-19)21(27)15-29-22(28)14-24-20(26)13-23-10-16-7-17(11-23)9-18(8-16)12-23/h16-19H,2-15H2,1H3,(H,24,26)
InChIKeyKWCVUQOOMWXLSD-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 7251696) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is CN(C(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is KWCVUQOOMWXLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4/c1-25(19-5-3-2-4-6-19)21(27)15-29-22(28)14-24-20(26)13-23-10-16-7-17(11-23)9-18(8-16)12-23/h16-19H,2-15H2,1H3,(H,24,26).
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 404.55 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 7251696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).