N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide

C16H25NO2 — CID 78866046

IUPACN-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCCC2CCCCC2)c(C)o1
InChIInChI=1S/C16H25NO2/c1-12-11-15(13(2)19-12)16(18)17-10-6-9-14-7-4-3-5-8-14/h11,14H,3-10H2,1-2H3,(H,17,18)
InChIKeyCRRUQBSMELRRAI-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.99
Rot. Bonds5

About N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide

N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 78866046) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID78866046
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCCC2CCCCC2)c(C)o1
InChIInChI=1S/C16H25NO2/c1-12-11-15(13(2)19-12)16(18)17-10-6-9-14-7-4-3-5-8-14/h11,14H,3-10H2,1-2H3,(H,17,18)
InChIKeyCRRUQBSMELRRAI-UHFFFAOYSA-N
XLogP3.99
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea
CID 86952275
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 52907034
5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide
CID 55774303
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106124578
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294
N-(4-amino-4-sulfanylidenebutyl)-2,5-dimethylfuran-3-carboxamide
CID 62667359
N-(3-cyclopentylpropyl)-4-fluoro-2-hydroxybenzamide
CID 106011705
N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 103861683
5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682762
N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide
CID 106015467
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide (CID 78866046) is N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCCC2CCCCC2)c(C)o1.
What is the InChIKey of N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is CRRUQBSMELRRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-11-15(13(2)19-12)16(18)17-10-6-9-14-7-4-3-5-8-14/h11,14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide?
N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 78866046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).