5-(1-adamantyl)-N-ethylfuran-2-carboxamide

C17H23NO2 — CID 2974800

IUPAC5-(1-adamantyl)-N-ethylfuran-2-carboxamide
SMILESCCNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C17H23NO2/c1-2-18-16(19)14-3-4-15(20-14)17-8-11-5-12(9-17)7-13(6-11)10-17/h3-4,11-13H,2,5-10H2,1H3,(H,18,19)
InChIKeyWDZKNJVRGYFBSK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.50
Rot. Bonds3

About 5-(1-adamantyl)-N-ethylfuran-2-carboxamide

5-(1-adamantyl)-N-ethylfuran-2-carboxamide (PubChem CID 2974800) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-(1-adamantyl)-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(1-adamantyl)-N-ethylfuran-2-carboxamide
PubChem CID2974800
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name5-(1-adamantyl)-N-ethylfuran-2-carboxamide
SMILESCCNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C17H23NO2/c1-2-18-16(19)14-3-4-15(20-14)17-8-11-5-12(9-17)7-13(6-11)10-17/h3-4,11-13H,2,5-10H2,1H3,(H,18,19)
InChIKeyWDZKNJVRGYFBSK-UHFFFAOYSA-N
XLogP3.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
CID 2998659
Furan-2-carboxamide deriv., 17
CID 44236903
Furan-2-carboxamide deriv., 19
CID 44236905
5-(2-methylpropyl)-N-(2-phenoxyethyl)furan-2-carboxamide
CID 5295624
N-(2-adamantyl)-5-bromofuran-2-carboxamide
CID 798489
5-(4-acetylphenyl)-N-cycloheptylfuran-2-carboxamide
CID 4879803
[4-(1-Adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 6469386
N-cyclohexyl-5-(2-fluorophenyl)furan-2-carboxamide
CID 7594453
3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 17173009
5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 18160218
3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 24818395
5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 3153878

Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-N-ethylfuran-2-carboxamide?
The IUPAC name of 5-(1-adamantyl)-N-ethylfuran-2-carboxamide (CID 2974800) is 5-(1-adamantyl)-N-ethylfuran-2-carboxamide.
What is the SMILES notation for 5-(1-adamantyl)-N-ethylfuran-2-carboxamide?
The canonical SMILES for 5-(1-adamantyl)-N-ethylfuran-2-carboxamide is CCNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 5-(1-adamantyl)-N-ethylfuran-2-carboxamide?
The InChIKey is WDZKNJVRGYFBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-18-16(19)14-3-4-15(20-14)17-8-11-5-12(9-17)7-13(6-11)10-17/h3-4,11-13H,2,5-10H2,1H3,(H,18,19).
What are the key properties of 5-(1-adamantyl)-N-ethylfuran-2-carboxamide?
5-(1-adamantyl)-N-ethylfuran-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 2974800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).