[2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate

C22H28N2O4 — CID 8608512

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H28N2O4/c1-14(25)23-19-4-2-15(3-5-19)9-21(27)28-13-20(26)24-22-10-16-6-17(11-22)8-18(7-16)12-22/h2-5,16-18H,6-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyBKUGEOVQGLTPTF-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.82
Rot. Bonds6

About [2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate

[2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8608512) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8608512
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H28N2O4/c1-14(25)23-19-4-2-15(3-5-19)9-21(27)28-13-20(26)24-22-10-16-6-17(11-22)8-18(7-16)12-22/h2-5,16-18H,6-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyBKUGEOVQGLTPTF-UHFFFAOYSA-N
XLogP2.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
CID 3502663
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
CID 7874624
1-(1-adamantyl)-3-[4-(2-oxopropyl)phenyl]urea
CID 71595179
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501
[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8610278
[2-(4-acetamidoanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 4877219
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774
[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate
CID 5158793
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate
CID 8609852
4-acetamido-N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]benzamide
CID 4534624

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate (CID 8608512) is [2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is BKUGEOVQGLTPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14(25)23-19-4-2-15(3-5-19)9-21(27)28-13-20(26)24-22-10-16-6-17(11-22)8-18(7-16)12-22/h2-5,16-18H,6-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
[2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 384.48 g/mol, XLogP of 2.82, 6 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-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8608512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).