N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide

C16H19NO3 — CID 110762882

IUPACN-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide
SMILESCOc1c(C)cc(C(=O)NCc2ccco2)c(C)c1C
InChIInChI=1S/C16H19NO3/c1-10-8-14(11(2)12(3)15(10)19-4)16(18)17-9-13-6-5-7-20-13/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyOOYMDUXYGGMAMI-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.14
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide

N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide (PubChem CID 110762882) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide
PubChem CID110762882
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide
SMILESCOc1c(C)cc(C(=O)NCc2ccco2)c(C)c1C
InChIInChI=1S/C16H19NO3/c1-10-8-14(11(2)12(3)15(10)19-4)16(18)17-9-13-6-5-7-20-13/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyOOYMDUXYGGMAMI-UHFFFAOYSA-N
XLogP3.14
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
5-amino-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 61290383
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 110761322
N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766123
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
CID 34239119
N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205399
N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697610
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide (CID 110762882) is N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide is COc1c(C)cc(C(=O)NCc2ccco2)c(C)c1C.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide?
The InChIKey is OOYMDUXYGGMAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-8-14(11(2)12(3)15(10)19-4)16(18)17-9-13-6-5-7-20-13/h5-8H,9H2,1-4H3,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide?
N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide has a molecular weight of 273.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide is sourced from PubChem (CID 110762882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).