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

C22H23NO7 — CID 28674937

IUPACN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H23NO7/c1-26-18-7-5-13(17-8-6-15(12-24)30-17)9-16(18)23-22(25)14-10-19(27-2)21(29-4)20(11-14)28-3/h5-11,24H,12H2,1-4H3,(H,23,25)
InChIKeyKJYGPWJBGPQTRS-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.73
Rot. Bonds8

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

N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide (PubChem CID 28674937) has the molecular formula C22H23NO7 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
PubChem CID28674937
Molecular FormulaC22H23NO7
Molecular Weight413.43 g/mol
Exact Mass413.15
IUPAC NameN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H23NO7/c1-26-18-7-5-13(17-8-6-15(12-24)30-17)9-16(18)23-22(25)14-10-19(27-2)21(29-4)20(11-14)28-3/h5-11,24H,12H2,1-4H3,(H,23,25)
InChIKeyKJYGPWJBGPQTRS-UHFFFAOYSA-N
XLogP3.73
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
CID 28666764
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28667739
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 28688510
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28671053
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 28688538
4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28672946
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]-1-benzofuran-2-carboxamide
CID 28669452
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]-3,4,5-trimethoxybenzamide
CID 28688517
2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
CID 28676244

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide (CID 28674937) is N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide is COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is KJYGPWJBGPQTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO7/c1-26-18-7-5-13(17-8-6-15(12-24)30-17)9-16(18)23-22(25)14-10-19(27-2)21(29-4)20(11-14)28-3/h5-11,24H,12H2,1-4H3,(H,23,25).
What are the key properties of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide?
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 413.43 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 28674937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).