[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate

C23H26F2N4O5 — CID 155968598

IUPAC[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate
SMILESO=C(COC(=O)c1cc(N2CCNC2=O)c(F)cc1F)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H26F2N4O5/c24-16-7-17(25)18(29-2-1-26-22(29)33)6-15(16)20(31)34-11-19(30)27-21(32)28-23-8-12-3-13(9-23)5-14(4-12)10-23/h6-7,12-14H,1-5,8-11H2,(H,26,33)(H2,27,28,30,32)
InChIKeyMGFDAADQKDPKML-UHFFFAOYSA-N
MW476.48 g/mol
LogP2.45
Rot. Bonds5

About [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate (PubChem CID 155968598) has the molecular formula C23H26F2N4O5 and a molecular weight of 476.48 g/mol. Its IUPAC name is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate
PubChem CID155968598
Molecular FormulaC23H26F2N4O5
Molecular Weight476.48 g/mol
Exact Mass476.19
IUPAC Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate
SMILESO=C(COC(=O)c1cc(N2CCNC2=O)c(F)cc1F)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H26F2N4O5/c24-16-7-17(25)18(29-2-1-26-22(29)33)6-15(16)20(31)34-11-19(30)27-21(32)28-23-8-12-3-13(9-23)5-14(4-12)10-23/h6-7,12-14H,1-5,8-11H2,(H,26,33)(H2,27,28,30,32)
InChIKeyMGFDAADQKDPKML-UHFFFAOYSA-N
XLogP2.45
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786029
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 4841465
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7228984
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 16527888
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7260860
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 18286949
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418709
N-(1-adamantyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75362669
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
CID 7874624
[2-(1-adamantylamino)-2-oxoethyl] 3,5-diaminobenzoate
CID 23931388
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821444
[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] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate?
The IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate (CID 155968598) is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate.
What is the SMILES notation for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate?
The canonical SMILES for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate is O=C(COC(=O)c1cc(N2CCNC2=O)c(F)cc1F)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate?
The InChIKey is MGFDAADQKDPKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O5/c24-16-7-17(25)18(29-2-1-26-22(29)33)6-15(16)20(31)34-11-19(30)27-21(32)28-23-8-12-3-13(9-23)5-14(4-12)10-23/h6-7,12-14H,1-5,8-11H2,(H,26,33)(H2,27,28,30,32).
What are the key properties of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate?
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate has a molecular weight of 476.48 g/mol, XLogP of 2.45, 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] 2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoate is sourced from PubChem (CID 155968598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).