N-ethyl-N-(furan-2-ylmethyl)but-2-enamide

C11H15NO2 — CID 112727369

IUPACN-ethyl-N-(furan-2-ylmethyl)but-2-enamide
SMILESCC=CC(=O)N(CC)Cc1ccco1
InChIInChI=1S/C11H15NO2/c1-3-6-11(13)12(4-2)9-10-7-5-8-14-10/h3,5-8H,4,9H2,1-2H3
InChIKeyJXWDDTAQXCMBNY-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.20
Rot. Bonds4

About N-ethyl-N-(furan-2-ylmethyl)but-2-enamide

N-ethyl-N-(furan-2-ylmethyl)but-2-enamide (PubChem CID 112727369) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)but-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)but-2-enamide
PubChem CID112727369
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)but-2-enamide
SMILESCC=CC(=O)N(CC)Cc1ccco1
InChIInChI=1S/C11H15NO2/c1-3-6-11(13)12(4-2)9-10-7-5-8-14-10/h3,5-8H,4,9H2,1-2H3
InChIKeyJXWDDTAQXCMBNY-UHFFFAOYSA-N
XLogP2.20
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide
CID 67516457
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide
CID 56811678
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
N-ethyl-N-(furan-2-ylmethyl)ethanimidamide
CID 63172933
2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 55150729
(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)but-2-enamide?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)but-2-enamide (CID 112727369) is N-ethyl-N-(furan-2-ylmethyl)but-2-enamide.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)but-2-enamide?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)but-2-enamide is CC=CC(=O)N(CC)Cc1ccco1.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)but-2-enamide?
The InChIKey is JXWDDTAQXCMBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-6-11(13)12(4-2)9-10-7-5-8-14-10/h3,5-8H,4,9H2,1-2H3.
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)but-2-enamide?
N-ethyl-N-(furan-2-ylmethyl)but-2-enamide has a molecular weight of 193.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-2-ylmethyl)but-2-enamide is sourced from PubChem (CID 112727369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).