N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide

C13H13NO3 — CID 13019986

IUPACN-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide
SMILESCc1coc(C)c1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H13NO3/c1-8-7-17-9(2)12(8)13(16)14-10-4-3-5-11(15)6-10/h3-7,15H,1-2H3,(H,14,16)
InChIKeyYYCUSFTUZQDNBB-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.85
Rot. Bonds2

About N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide

N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide (PubChem CID 13019986) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide
PubChem CID13019986
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC NameN-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide
SMILESCc1coc(C)c1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H13NO3/c1-8-7-17-9(2)12(8)13(16)14-10-4-3-5-11(15)6-10/h3-7,15H,1-2H3,(H,14,16)
InChIKeyYYCUSFTUZQDNBB-UHFFFAOYSA-N
XLogP2.85
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide
CID 13019988
N-(3-hydroxyphenyl)-5-methylfuran-3-carboxamide
CID 877422
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethylfuran-3-carboxamide
CID 112521563
N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide
CID 112527200
N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide
CID 112527535
4-amino-N-(3-hydroxyphenyl)-3-methylbenzamide
CID 61167676
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
N-(1H-indol-7-yl)-2,4-dimethylfuran-3-carboxamide
CID 112526566
4-acetamido-N-(3-hydroxyphenyl)benzamide
CID 110463964
2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103890666

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide (CID 13019986) is N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide is Cc1coc(C)c1C(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide?
The InChIKey is YYCUSFTUZQDNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-7-17-9(2)12(8)13(16)14-10-4-3-5-11(15)6-10/h3-7,15H,1-2H3,(H,14,16).
What are the key properties of N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide?
N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide is sourced from PubChem (CID 13019986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).