N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide

C12H19NO2 — CID 56765534

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCc1cc(CNC(=O)C(C)(C)C)c(C)o1
InChIInChI=1S/C12H19NO2/c1-8-6-10(9(2)15-8)7-13-11(14)12(3,4)5/h6H,7H2,1-5H3,(H,13,14)
InChIKeyLYSNKLGUVULJAV-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.56
Rot. Bonds2

About N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide

N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 56765534) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide
PubChem CID56765534
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCc1cc(CNC(=O)C(C)(C)C)c(C)o1
InChIInChI=1S/C12H19NO2/c1-8-6-10(9(2)15-8)7-13-11(14)12(3,4)5/h6H,7H2,1-5H3,(H,13,14)
InChIKeyLYSNKLGUVULJAV-UHFFFAOYSA-N
XLogP2.56
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide (CID 56765534) is N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide is Cc1cc(CNC(=O)C(C)(C)C)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is LYSNKLGUVULJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-6-10(9(2)15-8)7-13-11(14)12(3,4)5/h6H,7H2,1-5H3,(H,13,14).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 209.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 56765534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).