3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide

C24H27NO6 — CID 28675140

IUPAC3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc(OCC)c1OCC
InChIInChI=1S/C24H27NO6/c1-4-28-21-13-17(14-22(29-5-2)23(21)30-6-3)24(27)25-18-9-7-8-16(12-18)20-11-10-19(15-26)31-20/h7-14,26H,4-6,15H2,1-3H3,(H,25,27)
InChIKeyXSUPTRWPGQRMFD-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.89
Rot. Bonds10

About 3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide

3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide (PubChem CID 28675140) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
PubChem CID28675140
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc(OCC)c1OCC
InChIInChI=1S/C24H27NO6/c1-4-28-21-13-17(14-22(29-5-2)23(21)30-6-3)24(27)25-18-9-7-8-16(12-18)20-11-10-19(15-26)31-20/h7-14,26H,4-6,15H2,1-3H3,(H,25,27)
InChIKeyXSUPTRWPGQRMFD-UHFFFAOYSA-N
XLogP4.89
TPSA90.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28675160
4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28666821
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770590
4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide
CID 28673736
3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28672132
N-[3-[(2-cyanoacetyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 108922676
5-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]naphthalene-1-carboxamide
CID 28668650
2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28675967
3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 27652156
3-bromo-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-ethoxybenzamide
CID 28673589
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3,4,5-triethoxybenzamide
CID 55727633

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide (CID 28675140) is 3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide is CCOc1cc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide?
The InChIKey is XSUPTRWPGQRMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-4-28-21-13-17(14-22(29-5-2)23(21)30-6-3)24(27)25-18-9-7-8-16(12-18)20-11-10-19(15-26)31-20/h7-14,26H,4-6,15H2,1-3H3,(H,25,27).
What are the key properties of 3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide?
3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide has a molecular weight of 425.48 g/mol, XLogP of 4.89, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide is sourced from PubChem (CID 28675140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).