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

C20H25NO3 — CID 3502663

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25NO3/c22-18(13-24-19(23)9-14-4-2-1-3-5-14)21-20-10-15-6-16(11-20)8-17(7-15)12-20/h1-5,15-17H,6-13H2,(H,21,22)
InChIKeyRNPLTICIOPFLTP-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.86
Rot. Bonds5

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

[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate (PubChem CID 3502663) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
PubChem CID3502663
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25NO3/c22-18(13-24-19(23)9-14-4-2-1-3-5-14)21-20-10-15-6-16(11-20)8-17(7-15)12-20/h1-5,15-17H,6-13H2,(H,21,22)
InChIKeyRNPLTICIOPFLTP-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
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[2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
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[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate
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[2-(1-adamantylamino)-2-oxoethyl] 2-benzamidoacetate
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[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-phenylacetate
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[2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
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[2-(1-adamantylamino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806621
[2-(1-adamantylamino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653449
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
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N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
CID 78773695
N-(1-adamantyl)-2-(2-phenylphenoxy)acetamide
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[2-(1-adamantylamino)-2-oxoethyl] 4-aminobenzoate
CID 4648812

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate (CID 3502663) is [2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate is O=C(COC(=O)Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate?
The InChIKey is RNPLTICIOPFLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c22-18(13-24-19(23)9-14-4-2-1-3-5-14)21-20-10-15-6-16(11-20)8-17(7-15)12-20/h1-5,15-17H,6-13H2,(H,21,22).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate?
[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate has a molecular weight of 327.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 3502663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).