N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide

C12H13NO3 — CID 110697610

IUPACN-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)oc1C
InChIInChI=1S/C12H13NO3/c1-8-6-11(16-9(8)2)12(14)13-7-10-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyIEEGHOLBVGGZTH-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.42
Rot. Bonds3

About N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide

N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide (PubChem CID 110697610) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide
PubChem CID110697610
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)oc1C
InChIInChI=1S/C12H13NO3/c1-8-6-11(16-9(8)2)12(14)13-7-10-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyIEEGHOLBVGGZTH-UHFFFAOYSA-N
XLogP2.42
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
5-amino-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 82344099
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
5-amino-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 61290383
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766123

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide (CID 110697610) is N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide is Cc1cc(C(=O)NCc2ccco2)oc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide?
The InChIKey is IEEGHOLBVGGZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-6-11(16-9(8)2)12(14)13-7-10-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide?
N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 110697610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).