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

C20H25NO4 — CID 5158793

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25NO4/c22-18(12-25-19(23)13-24-17-4-2-1-3-5-17)21-20-9-14-6-15(10-20)8-16(7-14)11-20/h1-5,14-16H,6-13H2,(H,21,22)
InChIKeyHPTFGHDOJIVMGG-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.69
Rot. Bonds6

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

[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate (PubChem CID 5158793) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate
PubChem CID5158793
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25NO4/c22-18(12-25-19(23)13-24-17-4-2-1-3-5-17)21-20-9-14-6-15(10-20)8-16(7-14)11-20/h1-5,14-16H,6-13H2,(H,21,22)
InChIKeyHPTFGHDOJIVMGG-UHFFFAOYSA-N
XLogP2.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
CID 3502663
[2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844599
[2-(1-adamantylamino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653449
[2-(1-adamantylamino)-2-oxoethyl] 2-benzamidoacetate
CID 4802592
[2-(1-adamantylamino)-2-oxoethyl] 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetate
CID 3606825
N-(1-adamantyl)-2-(2-phenoxyethylsulfanyl)acetamide
CID 3768957
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854032
[2-(1-adamantylamino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133135
N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
CID 78773695
N-(1-adamantyl)-2-(2-phenylphenoxy)acetamide
CID 7732550
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
CID 7874624
[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884866

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate (CID 5158793) is [2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is HPTFGHDOJIVMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c22-18(12-25-19(23)13-24-17-4-2-1-3-5-17)21-20-9-14-6-15(10-20)8-16(7-14)11-20/h1-5,14-16H,6-13H2,(H,21,22).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate?
[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 343.42 g/mol, XLogP of 2.69, 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-phenoxyacetate is sourced from PubChem (CID 5158793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).