N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide

C13H19NO4 — CID 136541245

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide
SMILESCc1coc(C)c1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C13H19NO4/c1-9-7-18-10(2)11(9)12(16)14-13(8-15)3-5-17-6-4-13/h7,15H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyJHPLZOMQGQZZOX-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.17
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide (PubChem CID 136541245) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide
PubChem CID136541245
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide
SMILESCc1coc(C)c1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C13H19NO4/c1-9-7-18-10(2)11(9)12(16)14-13(8-15)3-5-17-6-4-13/h7,15H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyJHPLZOMQGQZZOX-UHFFFAOYSA-N
XLogP1.17
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide
CID 106296589
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 106297385
N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 106297578
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 104630371
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 113435034
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 104630465
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide (CID 136541245) is N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide is Cc1coc(C)c1C(=O)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide?
The InChIKey is JHPLZOMQGQZZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9-7-18-10(2)11(9)12(16)14-13(8-15)3-5-17-6-4-13/h7,15H,3-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide is sourced from PubChem (CID 136541245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).