[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate

C22H26N2O4 — CID 8549131

IUPAC[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESO=C(OCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2)c1ccc[nH]1
InChIInChI=1S/C22H26N2O4/c25-20(14-28-21(26)19-4-1-5-23-19)24(13-18-3-2-6-27-18)22-10-15-7-16(11-22)9-17(8-15)12-22/h1-6,15-17,23H,7-14H2
InChIKeyDFQYZENWXAJHNS-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.76
Rot. Bonds6

About [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate

[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate (PubChem CID 8549131) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
PubChem CID8549131
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESO=C(OCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2)c1ccc[nH]1
InChIInChI=1S/C22H26N2O4/c25-20(14-28-21(26)19-4-1-5-23-19)24(13-18-3-2-6-27-18)22-10-15-7-16(11-22)9-17(8-15)12-22/h1-6,15-17,23H,7-14H2
InChIKeyDFQYZENWXAJHNS-UHFFFAOYSA-N
XLogP3.76
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 8018181
[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 3-methoxybenzoate
CID 7985871
[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600763
N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18275406
[2-(1-adamantylmethylamino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550624
N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
CID 7704846
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1-adamantyl)acetate
CID 7695381
[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544093
3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86999398
[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8846961
[4-[furan-2-ylmethyl(methyl)amino]-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(1H-pyrrol-2-yl)methanone
CID 131650729
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549841

Frequently Asked Questions

What is the IUPAC name of [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The IUPAC name of [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate (CID 8549131) is [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate is O=C(OCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2)c1ccc[nH]1.
What is the InChIKey of [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The InChIKey is DFQYZENWXAJHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-20(14-28-21(26)19-4-1-5-23-19)24(13-18-3-2-6-27-18)22-10-15-7-16(11-22)9-17(8-15)12-22/h1-6,15-17,23H,7-14H2.
What are the key properties of [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 8549131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).