3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide

C15H23NO3 — CID 111486678

IUPAC3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide
SMILESCC(C)CCC(C)(O)CNC(=O)C=Cc1ccco1
InChIInChI=1S/C15H23NO3/c1-12(2)8-9-15(3,18)11-16-14(17)7-6-13-5-4-10-19-13/h4-7,10,12,18H,8-9,11H2,1-3H3,(H,16,17)
InChIKeyNCKIAFBCRLKDER-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.60
Rot. Bonds7

About 3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide

3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide (PubChem CID 111486678) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide
PubChem CID111486678
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide
SMILESCC(C)CCC(C)(O)CNC(=O)C=Cc1ccco1
InChIInChI=1S/C15H23NO3/c1-12(2)8-9-15(3,18)11-16-14(17)7-6-13-5-4-10-19-13/h4-7,10,12,18H,8-9,11H2,1-3H3,(H,16,17)
InChIKeyNCKIAFBCRLKDER-UHFFFAOYSA-N
XLogP2.60
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 75408048
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(furan-2-yl)prop-2-enamide
CID 113322216
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide
CID 103843523
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
CID 75408131
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087
3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286
(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide
CID 6382996
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide (CID 111486678) is 3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide is CC(C)CCC(C)(O)CNC(=O)C=Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide?
The InChIKey is NCKIAFBCRLKDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)8-9-15(3,18)11-16-14(17)7-6-13-5-4-10-19-13/h4-7,10,12,18H,8-9,11H2,1-3H3,(H,16,17).
What are the key properties of 3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide?
3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide has a molecular weight of 265.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide is sourced from PubChem (CID 111486678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).