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

C13H19NO2 — CID 56765536

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide
SMILESCc1cc(CNC(=O)C2CCCC2)c(C)o1
InChIInChI=1S/C13H19NO2/c1-9-7-12(10(2)16-9)8-14-13(15)11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyKMHJNRIJYVERJK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.70
Rot. Bonds3

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

N-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide (PubChem CID 56765536) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide
PubChem CID56765536
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide
SMILESCc1cc(CNC(=O)C2CCCC2)c(C)o1
InChIInChI=1S/C13H19NO2/c1-9-7-12(10(2)16-9)8-14-13(15)11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyKMHJNRIJYVERJK-UHFFFAOYSA-N
XLogP2.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methyl-2-furyl)-N-(2-phenylethyl)acrylamide
CID 874587
4-[(5-Isobutyl-2-methyl-furan-3-carbonyl)-amino]-butyric acid
CID 2932477
(2,5-Dimethylfuran-3-yl)methanamine
CID 2776162
N-Benzyl-3-(5-methyl-furan-2-yl)-propionamide
CID 827173
(2,5-Dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4573434
N-[(2,5-dimethyl-3-furyl)methyl]-N-hydroxyurea
CID 10726150
Cyclafuramid
CID 93178
2-methyl-N-(3-phenylpropyl)furan-3-carboxamide
CID 2165345
N-[2-(1-cyclohexen-1-yl)ethyl]-2,5-dimethyl-3-furamide
CID 2712666
N-(3,3-diphenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 4879946
2,5-dimethyl-N-[1-(tetrahydro-2-furanyl)ethyl]-3-furamide
CID 6467087
2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 17148782

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide (CID 56765536) is N-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide is Cc1cc(CNC(=O)C2CCCC2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide?
The InChIKey is KMHJNRIJYVERJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-7-12(10(2)16-9)8-14-13(15)11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.70, 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]cyclopentanecarboxamide is sourced from PubChem (CID 56765536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).