N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide

C13H15NO3 — CID 90558255

IUPACN-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccoc2)c(C)o1
InChIInChI=1S/C13H15NO3/c1-9-7-12(10(2)17-9)13(15)14-5-3-11-4-6-16-8-11/h4,6-8H,3,5H2,1-2H3,(H,14,15)
InChIKeyADYQTZPLSONMLZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.46
Rot. Bonds4

About N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 90558255) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID90558255
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccoc2)c(C)o1
InChIInChI=1S/C13H15NO3/c1-9-7-12(10(2)17-9)13(15)14-5-3-11-4-6-16-8-11/h4,6-8H,3,5H2,1-2H3,(H,14,15)
InChIKeyADYQTZPLSONMLZ-UHFFFAOYSA-N
XLogP2.46
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 25199546
N-[2-(furan-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71798432
1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone
CID 115795910
N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 30797202
2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium
CID 7346584
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
N-[2-(furan-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90558282
N'-[2-(dimethylamino)ethyl]-N-[2-(furan-3-yl)ethyl]oxamide
CID 90558523
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 124760721
N-[2-(furan-3-yl)ethyl]-2-methoxyacetamide
CID 90558235

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide (CID 90558255) is N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCc2ccoc2)c(C)o1.
What is the InChIKey of N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ADYQTZPLSONMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9-7-12(10(2)17-9)13(15)14-5-3-11-4-6-16-8-11/h4,6-8H,3,5H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 90558255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).