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

C15H17NO2 — CID 95970655

IUPACN-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCc2ccco2)cc1C
InChIInChI=1S/C15H17NO2/c1-10-7-12(3)14(8-11(10)2)15(17)16-9-13-5-4-6-18-13/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyJPBOVWXZVMKNMW-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.13
Rot. Bonds3

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

N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide (PubChem CID 95970655) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
PubChem CID95970655
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCc2ccco2)cc1C
InChIInChI=1S/C15H17NO2/c1-10-7-12(3)14(8-11(10)2)15(17)16-9-13-5-4-6-18-13/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyJPBOVWXZVMKNMW-UHFFFAOYSA-N
XLogP3.13
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 61290383
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide
CID 110762882
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766123
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
3-[3-(furan-2-ylmethylcarbamoyl)-4-methylphenyl]prop-2-enoic acid
CID 77064776
N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697610
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 51180458
3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 27244504

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide (CID 95970655) is N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide is Cc1cc(C)c(C(=O)NCc2ccco2)cc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide?
The InChIKey is JPBOVWXZVMKNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-7-12(3)14(8-11(10)2)15(17)16-9-13-5-4-6-18-13/h4-8H,9H2,1-3H3,(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide?
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide has a molecular weight of 243.31 g/mol, XLogP of 3.13, 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)-2,4,5-trimethylbenzamide is sourced from PubChem (CID 95970655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).