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

C13H21NO2 — CID 56765537

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide
SMILESCc1cc(CNC(=O)CC(C)(C)C)c(C)o1
InChIInChI=1S/C13H21NO2/c1-9-6-11(10(2)16-9)8-14-12(15)7-13(3,4)5/h6H,7-8H2,1-5H3,(H,14,15)
InChIKeyWTMMWWHUAULDRE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.95
Rot. Bonds3

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

N-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 56765537) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide
PubChem CID56765537
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide
SMILESCc1cc(CNC(=O)CC(C)(C)C)c(C)o1
InChIInChI=1S/C13H21NO2/c1-9-6-11(10(2)16-9)8-14-12(15)7-13(3,4)5/h6H,7-8H2,1-5H3,(H,14,15)
InChIKeyWTMMWWHUAULDRE-UHFFFAOYSA-N
XLogP2.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide (CID 56765537) is N-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide is Cc1cc(CNC(=O)CC(C)(C)C)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide?
The InChIKey is WTMMWWHUAULDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-6-11(10(2)16-9)8-14-12(15)7-13(3,4)5/h6H,7-8H2,1-5H3,(H,14,15).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 223.32 g/mol, XLogP of 2.95, 3 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 56765537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).