N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide

C20H19NO4 — CID 111770257

IUPACN-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide
SMILESO=C(NCc1ccco1)c1cccc(COc2cccc(CO)c2)c1
InChIInChI=1S/C20H19NO4/c22-13-15-4-2-7-18(11-15)25-14-16-5-1-6-17(10-16)20(23)21-12-19-8-3-9-24-19/h1-11,22H,12-14H2,(H,21,23)
InChIKeyWDMGQCUIPRLHJH-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.28
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide

N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide (PubChem CID 111770257) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide
PubChem CID111770257
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide
SMILESO=C(NCc1ccco1)c1cccc(COc2cccc(CO)c2)c1
InChIInChI=1S/C20H19NO4/c22-13-15-4-2-7-18(11-15)25-14-16-5-1-6-17(10-16)20(23)21-12-19-8-3-9-24-19/h1-11,22H,12-14H2,(H,21,23)
InChIKeyWDMGQCUIPRLHJH-UHFFFAOYSA-N
XLogP3.28
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide
CID 4981718
4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400443
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500932
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
CID 109169297
4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400249

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide (CID 111770257) is N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide is O=C(NCc1ccco1)c1cccc(COc2cccc(CO)c2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide?
The InChIKey is WDMGQCUIPRLHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-13-15-4-2-7-18(11-15)25-14-16-5-1-6-17(10-16)20(23)21-12-19-8-3-9-24-19/h1-11,22H,12-14H2,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide?
N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide is sourced from PubChem (CID 111770257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).