[2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate

C23H33NO3 — CID 7514400

IUPAC[2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate
SMILESO=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H33NO3/c25-20(24-21-18-5-13-1-14(7-18)8-19(21)6-13)12-27-22(26)23-9-15-2-16(10-23)4-17(3-15)11-23/h13-19,21H,1-12H2,(H,24,25)
InChIKeyMHAZUIYPLFPCBQ-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.69
Rot. Bonds4

About [2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate

[2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate (PubChem CID 7514400) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is [2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate
PubChem CID7514400
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name[2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate
SMILESO=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H33NO3/c25-20(24-21-18-5-13-1-14(7-18)8-19(21)6-13)12-27-22(26)23-9-15-2-16(10-23)4-17(3-15)11-23/h13-19,21H,1-12H2,(H,24,25)
InChIKeyMHAZUIYPLFPCBQ-UHFFFAOYSA-N
XLogP3.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 23761708
[2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4534845
N-(2-adamantyl)-2-methoxyacetamide
CID 24659070
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] adamantane-1-carboxylate
CID 4237168
[2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4310551
[2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate
CID 2377056
[2-oxo-2-(trifluoromethylsulfonylamino)ethyl] adamantane-1-carboxylate
CID 58030646
magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate)
CID 158348116
[2-(4-acetamidoanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 4877219
[2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 8828195
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
CID 18201052
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] adamantane-1-carboxylate
CID 7514369

Frequently Asked Questions

What is the IUPAC name of [2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate?
The IUPAC name of [2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate (CID 7514400) is [2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate is O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate?
The InChIKey is MHAZUIYPLFPCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3/c25-20(24-21-18-5-13-1-14(7-18)8-19(21)6-13)12-27-22(26)23-9-15-2-16(10-23)4-17(3-15)11-23/h13-19,21H,1-12H2,(H,24,25).
What are the key properties of [2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate?
[2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate has a molecular weight of 371.52 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate is sourced from PubChem (CID 7514400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).