(E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide

C13H13NO3 — CID 71807047

IUPAC(E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccoc1)NCCc1ccoc1
InChIInChI=1S/C13H13NO3/c15-13(2-1-11-4-7-16-9-11)14-6-3-12-5-8-17-10-12/h1-2,4-5,7-10H,3,6H2,(H,14,15)/b2-1+
InChIKeyLSWZUGSXFNBJGF-OWOJBTEDSA-N
MW231.25 g/mol
LogP2.24
Rot. Bonds5

About (E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide

(E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide (PubChem CID 71807047) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide
PubChem CID71807047
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccoc1)NCCc1ccoc1
InChIInChI=1S/C13H13NO3/c15-13(2-1-11-4-7-16-9-11)14-6-3-12-5-8-17-10-12/h1-2,4-5,7-10H,3,6H2,(H,14,15)/b2-1+
InChIKeyLSWZUGSXFNBJGF-OWOJBTEDSA-N
XLogP2.24
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide
CID 90558341
ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate
CID 2246384
(E)-3-(furan-3-yl)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]prop-2-enamide
CID 87642239
N-[2-(furan-3-yl)ethyl]-2-methoxyacetamide
CID 90558235
(E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
CID 124760459
methyl (E)-3-(furan-3-yl)prop-2-enoate
CID 10441877
N'-[2-(dimethylamino)ethyl]-N-[2-(furan-3-yl)ethyl]oxamide
CID 90558523
1-[2-(furan-3-yl)ethyl]-3-(2-methoxyethyl)urea
CID 71798548
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide
CID 99873619
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]prop-2-enamide
CID 97416926
2-(4-ethoxyphenoxy)-N-[2-(furan-3-yl)ethyl]acetamide
CID 90558332
(E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 90355915

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide (CID 71807047) is (E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide is O=C(/C=C/c1ccoc1)NCCc1ccoc1.
What is the InChIKey of (E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide?
The InChIKey is LSWZUGSXFNBJGF-OWOJBTEDSA-N. The full InChI is InChI=1S/C13H13NO3/c15-13(2-1-11-4-7-16-9-11)14-6-3-12-5-8-17-10-12/h1-2,4-5,7-10H,3,6H2,(H,14,15)/b2-1+.
What are the key properties of (E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide?
(E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide has a molecular weight of 231.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 71807047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).