N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide

C13H13NO4 — CID 168653185

IUPACN-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide
SMILESCOc1cc(NC=O)ccc1-c1ccc(CO)o1
InChIInChI=1S/C13H13NO4/c1-17-13-6-9(14-8-16)2-4-11(13)12-5-3-10(7-15)18-12/h2-6,8,15H,7H2,1H3,(H,14,16)
InChIKeyKPLJUYMGDCCIEG-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.02
Rot. Bonds5

About N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide

N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide (PubChem CID 168653185) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide.

Molecular Properties

Compound NameN-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide
PubChem CID168653185
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC NameN-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide
SMILESCOc1cc(NC=O)ccc1-c1ccc(CO)o1
InChIInChI=1S/C13H13NO4/c1-17-13-6-9(14-8-16)2-4-11(13)12-5-3-10(7-15)18-12/h2-6,8,15H,7H2,1H3,(H,14,16)
InChIKeyKPLJUYMGDCCIEG-UHFFFAOYSA-N
XLogP2.02
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyanilino]methylidene]propanedinitrile
CID 168543539
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 28675012
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide
CID 28666099
N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide
CID 168652571
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide
CID 28677657
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 28676973
2-fluoro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667056
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]naphthalene-2-carboxamide
CID 28668742
3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667496
N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-4-methylpentanamide
CID 28686777
N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 28688517
N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-4-methylbenzamide
CID 28686922

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide?
The IUPAC name of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide (CID 168653185) is N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide.
What is the SMILES notation for N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide?
The canonical SMILES for N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide is COc1cc(NC=O)ccc1-c1ccc(CO)o1.
What is the InChIKey of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide?
The InChIKey is KPLJUYMGDCCIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-13-6-9(14-8-16)2-4-11(13)12-5-3-10(7-15)18-12/h2-6,8,15H,7H2,1H3,(H,14,16).
What are the key properties of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide?
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide has a molecular weight of 247.25 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide is sourced from PubChem (CID 168653185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).