N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide

C13H21NO3 — CID 111780822

IUPACN-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1oc(C)cc1C
InChIInChI=1S/C13H21NO3/c1-5-13(16,6-2)8-14-12(15)11-9(3)7-10(4)17-11/h7,16H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyKNRTZCIOZDWFAC-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.18
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide

N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide (PubChem CID 111780822) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide
PubChem CID111780822
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1oc(C)cc1C
InChIInChI=1S/C13H21NO3/c1-5-13(16,6-2)8-14-12(15)11-9(3)7-10(4)17-11/h7,16H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyKNRTZCIOZDWFAC-UHFFFAOYSA-N
XLogP2.18
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
CID 114821770
N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide
CID 111789808
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503
N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide
CID 166396100
4-[2-[(3,5-dimethylfuran-2-carbonyl)amino]ethyl]benzoic acid
CID 119168767
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
CID 65111095
N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide
CID 119619721
N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride
CID 119547985
N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
CID 106753405
4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322
N-(2-ethyl-2-hydroxybutyl)-2,3,4,5,6-pentafluorobenzamide
CID 65113934
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide (CID 111780822) is N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide is CCC(O)(CC)CNC(=O)c1oc(C)cc1C.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide?
The InChIKey is KNRTZCIOZDWFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-13(16,6-2)8-14-12(15)11-9(3)7-10(4)17-11/h7,16H,5-6,8H2,1-4H3,(H,14,15).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide has a molecular weight of 239.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 111780822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).