[2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate

C22H29NO5 — CID 7844599

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29NO5/c1-2-26-18-5-3-4-6-19(18)27-14-21(25)28-13-20(24)23-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,2,7-14H2,1H3,(H,23,24)
InChIKeyYHSKIROVGXZEQG-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.09
Rot. Bonds8

About [2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate

[2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate (PubChem CID 7844599) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
PubChem CID7844599
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29NO5/c1-2-26-18-5-3-4-6-19(18)27-14-21(25)28-13-20(24)23-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,2,7-14H2,1H3,(H,23,24)
InChIKeyYHSKIROVGXZEQG-UHFFFAOYSA-N
XLogP3.09
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate
CID 5158793
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854032
N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
CID 78773695
[2-(1-adamantylamino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811763
[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
CID 3502663
N-(1-adamantyl)-2-(2-phenylphenoxy)acetamide
CID 7732550
[2-(1-adamantylamino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133135
[2-(1-adamantylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903727
[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884866
2-(1-adamantyl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 7917948
[2-(1-adamantylamino)-2-oxoethyl] 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetate
CID 3606825
[2-(1-adamantylamino)-2-oxoethyl] 2-benzamidoacetate
CID 4802592

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate (CID 7844599) is [2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate is CCOc1ccccc1OCC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The InChIKey is YHSKIROVGXZEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5/c1-2-26-18-5-3-4-6-19(18)27-14-21(25)28-13-20(24)23-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,2,7-14H2,1H3,(H,23,24).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
[2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate has a molecular weight of 387.48 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate is sourced from PubChem (CID 7844599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).