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

C21H26N2O5 — CID 7821444

IUPAC[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESO=C(COC(=O)[C@@H](O)c1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H26N2O5/c24-17(12-28-19(26)18(25)16-4-2-1-3-5-16)22-20(27)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15,18,25H,6-12H2,(H2,22,23,24,27)/t13?,14?,15?,18-,21?/m0/s1
InChIKeyCJDYFHGKUGYGSS-TYUXRXASSA-N
MW386.45 g/mol
LogP2.06
Rot. Bonds5

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

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (PubChem CID 7821444) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
PubChem CID7821444
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESO=C(COC(=O)[C@@H](O)c1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H26N2O5/c24-17(12-28-19(26)18(25)16-4-2-1-3-5-16)22-20(27)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15,18,25H,6-12H2,(H2,22,23,24,27)/t13?,14?,15?,18-,21?/m0/s1
InChIKeyCJDYFHGKUGYGSS-TYUXRXASSA-N
XLogP2.06
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2R)-2-phenylbutanoate
CID 8753901
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
CID 7874624
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 51919981
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854032
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7228984
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786029
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834280
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 16505271
[2-(1-adamantylamino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806621
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7260860
[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
CID 3502663
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 41144483

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (CID 7821444) is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is O=C(COC(=O)[C@@H](O)c1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is CJDYFHGKUGYGSS-TYUXRXASSA-N. The full InChI is InChI=1S/C21H26N2O5/c24-17(12-28-19(26)18(25)16-4-2-1-3-5-16)22-20(27)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15,18,25H,6-12H2,(H2,22,23,24,27)/t13?,14?,15?,18-,21?/m0/s1.
What are the key properties of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 386.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 7821444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).