N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide

C15H21NO2 — CID 2712666

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCC2=CCCCC2)c(C)o1
InChIInChI=1S/C15H21NO2/c1-11-10-14(12(2)18-11)15(17)16-9-8-13-6-4-3-5-7-13/h6,10H,3-5,7-9H2,1-2H3,(H,16,17)
InChIKeyFRXPEODZTWZHDV-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.52
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 2712666) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID2712666
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCC2=CCCCC2)c(C)o1
InChIInChI=1S/C15H21NO2/c1-11-10-14(12(2)18-11)15(17)16-9-8-13-6-4-3-5-7-13/h6,10H,3-5,7-9H2,1-2H3,(H,16,17)
InChIKeyFRXPEODZTWZHDV-UHFFFAOYSA-N
XLogP3.52
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Furmecyclox
CID 43359
4-(2,5-Dimethyl-3-furoyl)morpholine
CID 831995
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-[(2,5-Dimethylfuran-3-yl)formamido]acetic acid
CID 1085174
N-Benzyl-3-(5-methyl-furan-2-yl)-propionamide
CID 827173
(4-Benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 1245621
N-butyl-2-methyl-5-(piperidinosulfonyl)-3-furamide
CID 2809633
1-(2,5-Dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 2813437
(2,5-Dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4573434
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4788144
3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone
CID 18108187

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide (CID 2712666) is N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCC2=CCCCC2)c(C)o1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is FRXPEODZTWZHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-10-14(12(2)18-11)15(17)16-9-8-13-6-4-3-5-7-13/h6,10H,3-5,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2712666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).