[2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate

C20H25NO4 — CID 2997923

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate
SMILESO=C(COC(=O)C(O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25NO4/c22-17(12-25-19(24)18(23)16-4-2-1-3-5-16)21-20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,13-15,18,23H,6-12H2,(H,21,22)
InChIKeyMZYPPOKSUKGVOV-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.35
Rot. Bonds5

About [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate

[2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate (PubChem CID 2997923) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate
PubChem CID2997923
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate
SMILESO=C(COC(=O)C(O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25NO4/c22-17(12-25-19(24)18(23)16-4-2-1-3-5-16)21-20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,13-15,18,23H,6-12H2,(H,21,22)
InChIKeyMZYPPOKSUKGVOV-UHFFFAOYSA-N
XLogP2.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate (CID 2997923) is [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate is O=C(COC(=O)C(O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate?
The InChIKey is MZYPPOKSUKGVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c22-17(12-25-19(24)18(23)16-4-2-1-3-5-16)21-20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,13-15,18,23H,6-12H2,(H,21,22).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate?
[2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate has a molecular weight of 343.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 2997923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).