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

C21H26N2O4 — CID 7874624

IUPAC[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H26N2O4/c24-18(13-27-19(25)9-14-4-2-1-3-5-14)22-20(26)23-21-10-15-6-16(11-21)8-17(7-15)12-21/h1-5,15-17H,6-13H2,(H2,22,23,24,26)
InChIKeyJRBLIAJRPLUKED-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.57
Rot. Bonds5

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

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate (PubChem CID 7874624) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
PubChem CID7874624
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H26N2O4/c24-18(13-27-19(25)9-14-4-2-1-3-5-14)22-20(26)23-21-10-15-6-16(11-21)8-17(7-15)12-21/h1-5,15-17H,6-13H2,(H2,22,23,24,26)
InChIKeyJRBLIAJRPLUKED-UHFFFAOYSA-N
XLogP2.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.57
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] (2S)-2-hydroxy-2-phenylacetate
CID 7821444
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854032
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2R)-2-phenylbutanoate
CID 8753901
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 3567837
[2-(1-adamantylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608512
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 41144483
[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate
CID 5158793
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7228984
[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 42902130
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190632
[2-(benzylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4024964

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate (CID 7874624) is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate is O=C(COC(=O)Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate?
The InChIKey is JRBLIAJRPLUKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-18(13-27-19(25)9-14-4-2-1-3-5-14)22-20(26)23-21-10-15-6-16(11-21)8-17(7-15)12-21/h1-5,15-17H,6-13H2,(H2,22,23,24,26).
What are the key properties of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate?
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate has a molecular weight of 370.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 7874624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).