N-(furan-2-ylmethyl)hexanamide

C11H17NO2 — CID 4173113

IUPACN-(furan-2-ylmethyl)hexanamide
SMILESCCCCCC(=O)NCc1ccco1
InChIInChI=1S/C11H17NO2/c1-2-3-4-7-11(13)12-9-10-6-5-8-14-10/h5-6,8H,2-4,7,9H2,1H3,(H,12,13)
InChIKeyVUUQSNGVSRGQSZ-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.48
Rot. Bonds6

About N-(furan-2-ylmethyl)hexanamide

N-(furan-2-ylmethyl)hexanamide (PubChem CID 4173113) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)hexanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)hexanamide
PubChem CID4173113
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-(furan-2-ylmethyl)hexanamide
SMILESCCCCCC(=O)NCc1ccco1
InChIInChI=1S/C11H17NO2/c1-2-3-4-7-11(13)12-9-10-6-5-8-14-10/h5-6,8H,2-4,7,9H2,1H3,(H,12,13)
InChIKeyVUUQSNGVSRGQSZ-UHFFFAOYSA-N
XLogP2.48
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)hexanamide?
The IUPAC name of N-(furan-2-ylmethyl)hexanamide (CID 4173113) is N-(furan-2-ylmethyl)hexanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)hexanamide?
The canonical SMILES for N-(furan-2-ylmethyl)hexanamide is CCCCCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)hexanamide?
The InChIKey is VUUQSNGVSRGQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-4-7-11(13)12-9-10-6-5-8-14-10/h5-6,8H,2-4,7,9H2,1H3,(H,12,13).
What are the key properties of N-(furan-2-ylmethyl)hexanamide?
N-(furan-2-ylmethyl)hexanamide has a molecular weight of 195.26 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)hexanamide is sourced from PubChem (CID 4173113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).