[2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate

C24H25NO5 — CID 7440293

IUPAC[2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
SMILESO=C(Nc1ccccc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1
InChIInChI=1S/C24H25NO5/c26-21(24-11-15-8-16(12-24)10-17(9-15)13-24)14-30-23(28)18-4-1-2-5-19(18)25-22(27)20-6-3-7-29-20/h1-7,15-17H,8-14H2,(H,25,27)
InChIKeyZFQWZIVEOMAOAK-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.47
Rot. Bonds6

About [2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate

[2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate (PubChem CID 7440293) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
PubChem CID7440293
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name[2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
SMILESO=C(Nc1ccccc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1
InChIInChI=1S/C24H25NO5/c26-21(24-11-15-8-16(12-24)10-17(9-15)13-24)14-30-23(28)18-4-1-2-5-19(18)25-22(27)20-6-3-7-29-20/h1-7,15-17H,8-14H2,(H,25,27)
InChIKeyZFQWZIVEOMAOAK-UHFFFAOYSA-N
XLogP4.47
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2652525
[2-(1-adamantyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 7718124
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2601161
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 16533736
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 18776833
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440371
ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 3575199
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 8578947
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 9139731
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440307

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate (CID 7440293) is [2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate is O=C(Nc1ccccc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1.
What is the InChIKey of [2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The InChIKey is ZFQWZIVEOMAOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c26-21(24-11-15-8-16(12-24)10-17(9-15)13-24)14-30-23(28)18-4-1-2-5-19(18)25-22(27)20-6-3-7-29-20/h1-7,15-17H,8-14H2,(H,25,27).
What are the key properties of [2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
[2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate has a molecular weight of 407.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 7440293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).