N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide

C13H19NO3 — CID 77056421

IUPACN-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCC(O)(CC)CNC(=O)C=Cc1ccco1
InChIInChI=1S/C13H19NO3/c1-3-13(16,4-2)10-14-12(15)8-7-11-6-5-9-17-11/h5-9,16H,3-4,10H2,1-2H3,(H,14,15)
InChIKeyMDECDSOPUURFFB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.96
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide

N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 77056421) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID77056421
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCC(O)(CC)CNC(=O)C=Cc1ccco1
InChIInChI=1S/C13H19NO3/c1-3-13(16,4-2)10-14-12(15)8-7-11-6-5-9-17-11/h5-9,16H,3-4,10H2,1-2H3,(H,14,15)
InChIKeyMDECDSOPUURFFB-UHFFFAOYSA-N
XLogP1.96
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide
CID 103843523
(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 75408048
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(furan-2-yl)prop-2-enamide
CID 113322216
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087
3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide
CID 111486678
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
CID 75408131
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide (CID 77056421) is N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide is CCC(O)(CC)CNC(=O)C=Cc1ccco1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is MDECDSOPUURFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-13(16,4-2)10-14-12(15)8-7-11-6-5-9-17-11/h5-9,16H,3-4,10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide?
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 237.30 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 77056421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).