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

C20H19NO4 — CID 28666764

IUPACN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19NO4/c1-13-3-5-14(6-4-13)20(23)21-17-11-15(7-9-19(17)24-2)18-10-8-16(12-22)25-18/h3-11,22H,12H2,1-2H3,(H,21,23)
InChIKeyWRUPOCLHOOHILO-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.01
Rot. Bonds5

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

N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide (PubChem CID 28666764) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
PubChem CID28666764
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19NO4/c1-13-3-5-14(6-4-13)20(23)21-17-11-15(7-9-19(17)24-2)18-10-8-16(12-22)25-18/h3-11,22H,12H2,1-2H3,(H,21,23)
InChIKeyWRUPOCLHOOHILO-UHFFFAOYSA-N
XLogP4.01
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28667739
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 28674937
4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28672946
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28671053
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]furan-2-carboxamide
CID 28670300
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 28688538
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 28669452
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
CID 28667730
3,5-dibromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-2-iodobenzamide
CID 43866247
2-(3,4-dimethylphenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
CID 28675745
N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-4-methylbenzamide
CID 28686922
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 28675580

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide?
The IUPAC name of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide (CID 28666764) is N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide?
The canonical SMILES for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide is COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide?
The InChIKey is WRUPOCLHOOHILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13-3-5-14(6-4-13)20(23)21-17-11-15(7-9-19(17)24-2)18-10-8-16(12-22)25-18/h3-11,22H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide?
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide has a molecular weight of 337.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide is sourced from PubChem (CID 28666764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).