4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide

C12H20N2O2 — CID 60864839

IUPAC4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide
SMILESCc1cc(C(C)NCCCC(N)=O)c(C)o1
InChIInChI=1S/C12H20N2O2/c1-8-7-11(10(3)16-8)9(2)14-6-4-5-12(13)15/h7,9,14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyCFRWOHUWVMRGDH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.81
Rot. Bonds6

About 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide

4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide (PubChem CID 60864839) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide.

Molecular Properties

Compound Name4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide
PubChem CID60864839
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide
SMILESCc1cc(C(C)NCCCC(N)=O)c(C)o1
InChIInChI=1S/C12H20N2O2/c1-8-7-11(10(3)16-8)9(2)14-6-4-5-12(13)15/h7,9,14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyCFRWOHUWVMRGDH-UHFFFAOYSA-N
XLogP1.81
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Furmecyclox
CID 43359
3-(5-methyl-2-furyl)-N-(2-phenylethyl)acrylamide
CID 874587
N-Benzyl-3-(5-methyl-furan-2-yl)-propionamide
CID 827173
2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
CID 2932803
N-[(2,5-dimethyl-3-furyl)methyl]-N-hydroxyurea
CID 10726150
Cyclafuramid
CID 93178
(2,5-Dimethylfuran-3-yl)methanamine
CID 2776162
N-cycloheptyl-2-methylfuran-3-carboxamide
CID 874225
N-[2-(1-cyclohexen-1-yl)ethyl]-2,5-dimethyl-3-furamide
CID 2712666
2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide
CID 2933467
2-cyano-3-(5-methyl-2-furyl)-N-(1-phenylethyl)acrylamide
CID 6916128
N-hydroxy-N-[1-(5-methyl-3-furyl)ethyl]urea
CID 10607535

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide?
The IUPAC name of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide (CID 60864839) is 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide.
What is the SMILES notation for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide?
The canonical SMILES for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide is Cc1cc(C(C)NCCCC(N)=O)c(C)o1.
What is the InChIKey of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide?
The InChIKey is CFRWOHUWVMRGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-7-11(10(3)16-8)9(2)14-6-4-5-12(13)15/h7,9,14H,4-6H2,1-3H3,(H2,13,15).
What are the key properties of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide?
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide has a molecular weight of 224.30 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide is sourced from PubChem (CID 60864839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).