N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide

C17H23NO2 — CID 78798957

IUPACN-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(C)o1
InChIInChI=1S/C17H23NO2/c1-9-3-15(10(2)20-9)17(19)18-16-13-5-11-4-12(7-13)8-14(16)6-11/h3,11-14,16H,4-8H2,1-2H3,(H,18,19)
InChIKeyKMCPXBLSKRRILA-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.45
Rot. Bonds2

About N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide

N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 78798957) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID78798957
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(C)o1
InChIInChI=1S/C17H23NO2/c1-9-3-15(10(2)20-9)17(19)18-16-13-5-11-4-12(7-13)8-14(16)6-11/h3,11-14,16H,4-8H2,1-2H3,(H,18,19)
InChIKeyKMCPXBLSKRRILA-UHFFFAOYSA-N
XLogP3.45
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-adamantyl)-3,5-dimethylbenzamide
CID 923702
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 43603808
N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide
CID 78859383
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594
2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
CID 120600731
2,5-dimethyl-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119427545
N-[4-(ethylamino)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 43653345
5-(2-adamantylcarbamoyl)-2-ethylfuran-3-carboxylic acid
CID 120822201
N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 43594107
N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279634

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide (CID 78798957) is N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(C)o1.
What is the InChIKey of N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is KMCPXBLSKRRILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-9-3-15(10(2)20-9)17(19)18-16-13-5-11-4-12(7-13)8-14(16)6-11/h3,11-14,16H,4-8H2,1-2H3,(H,18,19).
What are the key properties of N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide?
N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 78798957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).