N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide

C16H19NO3 — CID 65114924

IUPACN-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C16H19NO3/c1-3-16(2,19)11-17-15(18)14-13(9-10-20-14)12-7-5-4-6-8-12/h4-10,19H,3,11H2,1-2H3,(H,17,18)
InChIKeyXVHTUDBDRFLFLK-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.84
Rot. Bonds5

About N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide

N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide (PubChem CID 65114924) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide
PubChem CID65114924
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C16H19NO3/c1-3-16(2,19)11-17-15(18)14-13(9-10-20-14)12-7-5-4-6-8-12/h4-10,19H,3,11H2,1-2H3,(H,17,18)
InChIKeyXVHTUDBDRFLFLK-UHFFFAOYSA-N
XLogP2.84
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-phenylfuran-2-carboxamide
CID 111698273
(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 107832817
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143
N-(3-hydroxypentyl)-3-phenylfuran-2-carboxamide
CID 115703850
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide
CID 107847366
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylfuran-2-carboxamide
CID 79381248
N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide
CID 111335077
N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide
CID 109479214
N-cyano-3-phenylfuran-2-carboxamide
CID 79194382
(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 61152901
2-(ethylamino)-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65109341
N,N-dimethyl-3-phenylfuran-2-carboxamide
CID 60718079

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide (CID 65114924) is N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide is CCC(C)(O)CNC(=O)c1occc1-c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide?
The InChIKey is XVHTUDBDRFLFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-16(2,19)11-17-15(18)14-13(9-10-20-14)12-7-5-4-6-8-12/h4-10,19H,3,11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide?
N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 65114924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).