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

C21H33NO3 — CID 23761708

IUPAC[2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate
SMILESO=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NC1CCCCCCC1
InChIInChI=1S/C21H33NO3/c23-19(22-18-6-4-2-1-3-5-7-18)14-25-20(24)21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18H,1-14H2,(H,22,23)
InChIKeyKFFKSWHTRHEGKL-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.98
Rot. Bonds4

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

[2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate (PubChem CID 23761708) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate
PubChem CID23761708
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate
SMILESO=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NC1CCCCCCC1
InChIInChI=1S/C21H33NO3/c23-19(22-18-6-4-2-1-3-5-7-18)14-25-20(24)21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18H,1-14H2,(H,22,23)
InChIKeyKFFKSWHTRHEGKL-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] adamantane-1-carboxylate
CID 4237168
[2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 7514400
[2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4534845
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate
CID 7447942
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate
CID 22489777
[1-(cyclohexylamino)-1-oxopropan-2-yl] adamantane-1-carboxylate
CID 5022944
[2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate
CID 8518445
[2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4310551
[2-(cycloheptylamino)-2-oxoethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate
CID 7846853
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] adamantane-1-carboxylate
CID 7514369
[2-oxo-2-(trifluoromethylsulfonylamino)ethyl] adamantane-1-carboxylate
CID 58030646
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate
CID 8888670

Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate (CID 23761708) is [2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate is O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NC1CCCCCCC1.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate?
The InChIKey is KFFKSWHTRHEGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3/c23-19(22-18-6-4-2-1-3-5-7-18)14-25-20(24)21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18H,1-14H2,(H,22,23).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate?
[2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate has a molecular weight of 347.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate is sourced from PubChem (CID 23761708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).