3-(furan-2-yl)-N-hexylprop-2-enamide

C13H19NO2 — CID 3705621

IUPAC3-(furan-2-yl)-N-hexylprop-2-enamide
SMILESCCCCCCNC(=O)C=Cc1ccco1
InChIInChI=1S/C13H19NO2/c1-2-3-4-5-10-14-13(15)9-8-12-7-6-11-16-12/h6-9,11H,2-5,10H2,1H3,(H,14,15)
InChIKeyLULFGAPOLBMABU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.99
Rot. Bonds7

About 3-(furan-2-yl)-N-hexylprop-2-enamide

3-(furan-2-yl)-N-hexylprop-2-enamide (PubChem CID 3705621) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-hexylprop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-hexylprop-2-enamide
PubChem CID3705621
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(furan-2-yl)-N-hexylprop-2-enamide
SMILESCCCCCCNC(=O)C=Cc1ccco1
InChIInChI=1S/C13H19NO2/c1-2-3-4-5-10-14-13(15)9-8-12-7-6-11-16-12/h6-9,11H,2-5,10H2,1H3,(H,14,15)
InChIKeyLULFGAPOLBMABU-UHFFFAOYSA-N
XLogP2.99
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
CID 59509588
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N'-dipentylpentanediamide
CID 13421042
(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide
CID 6382996
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
[2-(butylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2429932
(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 24533349

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-hexylprop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-hexylprop-2-enamide (CID 3705621) is 3-(furan-2-yl)-N-hexylprop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-hexylprop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-hexylprop-2-enamide is CCCCCCNC(=O)C=Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-hexylprop-2-enamide?
The InChIKey is LULFGAPOLBMABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-4-5-10-14-13(15)9-8-12-7-6-11-16-12/h6-9,11H,2-5,10H2,1H3,(H,14,15).
What are the key properties of 3-(furan-2-yl)-N-hexylprop-2-enamide?
3-(furan-2-yl)-N-hexylprop-2-enamide has a molecular weight of 221.30 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-hexylprop-2-enamide is sourced from PubChem (CID 3705621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).