3-benzyl-3-methyl-2H-furan-2-carboxamide

C13H15NO2 — CID 68648733

IUPAC3-benzyl-3-methyl-2H-furan-2-carboxamide
SMILESCC1(Cc2ccccc2)C=COC1C(N)=O
InChIInChI=1S/C13H15NO2/c1-13(7-8-16-11(13)12(14)15)9-10-5-3-2-4-6-10/h2-8,11H,9H2,1H3,(H2,14,15)
InChIKeyFEZKEVSZPPYNLH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.63
Rot. Bonds3

About 3-benzyl-3-methyl-2H-furan-2-carboxamide

3-benzyl-3-methyl-2H-furan-2-carboxamide (PubChem CID 68648733) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-benzyl-3-methyl-2H-furan-2-carboxamide.

Molecular Properties

Compound Name3-benzyl-3-methyl-2H-furan-2-carboxamide
PubChem CID68648733
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-benzyl-3-methyl-2H-furan-2-carboxamide
SMILESCC1(Cc2ccccc2)C=COC1C(N)=O
InChIInChI=1S/C13H15NO2/c1-13(7-8-16-11(13)12(14)15)9-10-5-3-2-4-6-10/h2-8,11H,9H2,1H3,(H2,14,15)
InChIKeyFEZKEVSZPPYNLH-UHFFFAOYSA-N
XLogP1.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-phenyl-2H-furan-2-carboxamide
CID 67702326
[3-(benzoyloxymethyl)-3-methyl-2H-furan-2-yl]methyl benzoate
CID 70973156
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
3-benzyl-3-methyloxiran-2-amine
CID 130712281
methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 68722884
(2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol
CID 54252696
[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475475
[(1S,2S)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475476
4-[(1S,2S,3R)-2-benzyl-3-ethyl-2-methylcyclopropyl]butan-2-one
CID 132560968
(1R,2R,4R)-2-benzylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 21152858
2,2-dibenzyl-3,4-dimethyloxetan-3-amine
CID 169032077
benzyl 1,3-dioxole-2-carboxylate
CID 91151024

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-methyl-2H-furan-2-carboxamide?
The IUPAC name of 3-benzyl-3-methyl-2H-furan-2-carboxamide (CID 68648733) is 3-benzyl-3-methyl-2H-furan-2-carboxamide.
What is the SMILES notation for 3-benzyl-3-methyl-2H-furan-2-carboxamide?
The canonical SMILES for 3-benzyl-3-methyl-2H-furan-2-carboxamide is CC1(Cc2ccccc2)C=COC1C(N)=O.
What is the InChIKey of 3-benzyl-3-methyl-2H-furan-2-carboxamide?
The InChIKey is FEZKEVSZPPYNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(7-8-16-11(13)12(14)15)9-10-5-3-2-4-6-10/h2-8,11H,9H2,1H3,(H2,14,15).
What are the key properties of 3-benzyl-3-methyl-2H-furan-2-carboxamide?
3-benzyl-3-methyl-2H-furan-2-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-methyl-2H-furan-2-carboxamide is sourced from PubChem (CID 68648733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).