N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide

C21H22N2O5 — CID 121084710

IUPACN-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccccn2)Cc2ccco2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O5/c1-25-18-11-15(12-19(26-2)20(18)27-3)21(24)23(14-17-8-6-10-28-17)13-16-7-4-5-9-22-16/h4-12H,13-14H2,1-3H3
InChIKeyXUYSEXKWGXSKSW-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.54
Rot. Bonds8

About N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide

N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 121084710) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID121084710
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccccn2)Cc2ccco2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O5/c1-25-18-11-15(12-19(26-2)20(18)27-3)21(24)23(14-17-8-6-10-28-17)13-16-7-4-5-9-22-16/h4-12H,13-14H2,1-3H3
InChIKeyXUYSEXKWGXSKSW-UHFFFAOYSA-N
XLogP3.54
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084699
2-ethoxy-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084654
N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 121084660
1-(furan-2-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 52906824
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 70763383
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 4781645
5-bromo-2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084721
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 30710635
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 27719528

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide (CID 121084710) is N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide is COc1cc(C(=O)N(Cc2ccccn2)Cc2ccco2)cc(OC)c1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is XUYSEXKWGXSKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-25-18-11-15(12-19(26-2)20(18)27-3)21(24)23(14-17-8-6-10-28-17)13-16-7-4-5-9-22-16/h4-12H,13-14H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide?
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 382.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 121084710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).