N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide

C14H15NO4 — CID 912333

IUPACN-(furan-2-ylmethyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccco2)c1OC
InChIInChI=1S/C14H15NO4/c1-17-12-7-3-6-11(13(12)18-2)14(16)15-9-10-5-4-8-19-10/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyRVMOOVAWVHHOJZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.23
Rot. Bonds5

About N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide

N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide (PubChem CID 912333) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,3-dimethoxybenzamide
PubChem CID912333
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC NameN-(furan-2-ylmethyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccco2)c1OC
InChIInChI=1S/C14H15NO4/c1-17-12-7-3-6-11(13(12)18-2)14(16)15-9-10-5-4-8-19-10/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyRVMOOVAWVHHOJZ-UHFFFAOYSA-N
XLogP2.23
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide (CID 912333) is N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCc2ccco2)c1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide?
The InChIKey is RVMOOVAWVHHOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-17-12-7-3-6-11(13(12)18-2)14(16)15-9-10-5-4-8-19-10/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide?
N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide has a molecular weight of 261.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 912333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).