N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide

C15H17NO4 — CID 171139195

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCc1cc(C(O)CNC(=O)C=Cc2ccco2)c(C)o1
InChIInChI=1S/C15H17NO4/c1-10-8-13(11(2)20-10)14(17)9-16-15(18)6-5-12-4-3-7-19-12/h3-8,14,17H,9H2,1-2H3,(H,16,18)
InChIKeyUEXWSWJFXYHYKO-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 171139195) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID171139195
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCc1cc(C(O)CNC(=O)C=Cc2ccco2)c(C)o1
InChIInChI=1S/C15H17NO4/c1-10-8-13(11(2)20-10)14(17)9-16-15(18)6-5-12-4-3-7-19-12/h3-8,14,17H,9H2,1-2H3,(H,16,18)
InChIKeyUEXWSWJFXYHYKO-UHFFFAOYSA-N
XLogP2.35
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675
(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 103769714
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide
CID 124843648
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide
CID 6382996
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 75408048
(E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide
CID 71789674
(E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 5291630
(E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide
CID 71804520
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide (CID 171139195) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide is Cc1cc(C(O)CNC(=O)C=Cc2ccco2)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is UEXWSWJFXYHYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10-8-13(11(2)20-10)14(17)9-16-15(18)6-5-12-4-3-7-19-12/h3-8,14,17H,9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 275.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 171139195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).