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

C16H25NO4 — CID 2377056

IUPAC[2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO4/c1-2-20-9-15(19)21-8-14(18)17-16-12-4-10-3-11(6-12)7-13(16)5-10/h10-13,16H,2-9H2,1H3,(H,17,18)
InChIKeyPQCFVQXQBAUGGH-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.51
Rot. Bonds6

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

[2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate (PubChem CID 2377056) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is [2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate.

Molecular Properties

Compound Name[2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate
PubChem CID2377056
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name[2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO4/c1-2-20-9-15(19)21-8-14(18)17-16-12-4-10-3-11(6-12)7-13(16)5-10/h10-13,16H,2-9H2,1H3,(H,17,18)
InChIKeyPQCFVQXQBAUGGH-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate?
The IUPAC name of [2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate (CID 2377056) is [2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate.
What is the SMILES notation for [2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate?
The canonical SMILES for [2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate is CCOCC(=O)OCC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate?
The InChIKey is PQCFVQXQBAUGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-2-20-9-15(19)21-8-14(18)17-16-12-4-10-3-11(6-12)7-13(16)5-10/h10-13,16H,2-9H2,1H3,(H,17,18).
What are the key properties of [2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate?
[2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate has a molecular weight of 295.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate is sourced from PubChem (CID 2377056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).