[2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate

C16H25NO4 — CID 3678363

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO4/c1-2-20-10-15(19)21-9-14(18)17-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeyXZEOHUKTLCQMAG-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.65
Rot. Bonds6

About [2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate

[2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate (PubChem CID 3678363) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate
PubChem CID3678363
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO4/c1-2-20-10-15(19)21-9-14(18)17-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeyXZEOHUKTLCQMAG-UHFFFAOYSA-N
XLogP1.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate (CID 3678363) is [2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate is CCOCC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate?
The InChIKey is XZEOHUKTLCQMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-2-20-10-15(19)21-9-14(18)17-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,2-10H2,1H3,(H,17,18).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate?
[2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate has a molecular weight of 295.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] 2-ethoxyacetate is sourced from PubChem (CID 3678363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).