N-(furan-2-ylmethyl)-2,4-dimethylbenzamide

C14H15NO2 — CID 1088346

IUPACN-(furan-2-ylmethyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C14H15NO2/c1-10-5-6-13(11(2)8-10)14(16)15-9-12-4-3-7-17-12/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyOZULURZXTBOIPR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.83
Rot. Bonds3

About N-(furan-2-ylmethyl)-2,4-dimethylbenzamide

N-(furan-2-ylmethyl)-2,4-dimethylbenzamide (PubChem CID 1088346) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,4-dimethylbenzamide
PubChem CID1088346
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-(furan-2-ylmethyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C14H15NO2/c1-10-5-6-13(11(2)8-10)14(16)15-9-12-4-3-7-17-12/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyOZULURZXTBOIPR-UHFFFAOYSA-N
XLogP2.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,4-dimethylbenzamide (CID 1088346) is N-(furan-2-ylmethyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2ccco2)c(C)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,4-dimethylbenzamide?
The InChIKey is OZULURZXTBOIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-5-6-13(11(2)8-10)14(16)15-9-12-4-3-7-17-12/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-2,4-dimethylbenzamide?
N-(furan-2-ylmethyl)-2,4-dimethylbenzamide has a molecular weight of 229.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 1088346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).