N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide

C13H13NO4 — CID 107722501

IUPACN-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide
SMILESCN(Cc1ccoc1)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C13H13NO4/c1-14(7-9-4-5-18-8-9)13(17)11-6-10(15)2-3-12(11)16/h2-6,8,15-16H,7H2,1H3
InChIKeyVRCOWLYZLSJJSW-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.96
Rot. Bonds3

About N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide

N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide (PubChem CID 107722501) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide
PubChem CID107722501
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC NameN-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide
SMILESCN(Cc1ccoc1)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C13H13NO4/c1-14(7-9-4-5-18-8-9)13(17)11-6-10(15)2-3-12(11)16/h2-6,8,15-16H,7H2,1H3
InChIKeyVRCOWLYZLSJJSW-UHFFFAOYSA-N
XLogP1.96
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
2-chloro-N-(furan-3-ylmethyl)-N-methylfuran-3-carboxamide
CID 106686601
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
N-(furan-3-ylmethyl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 61422868
N-(furan-3-ylmethyl)-N,4-dimethylbenzamide
CID 110868919
N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide
CID 61151068
3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide
CID 61421960
N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039115
2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721274
2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyridine-3-carboxamide
CID 114034200
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide?
The IUPAC name of N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide (CID 107722501) is N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide is CN(Cc1ccoc1)C(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide?
The InChIKey is VRCOWLYZLSJJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-14(7-9-4-5-18-8-9)13(17)11-6-10(15)2-3-12(11)16/h2-6,8,15-16H,7H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide?
N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide has a molecular weight of 247.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 107722501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).