3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide

C11H16N2O2 — CID 109011813

IUPAC3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCNCc1ccco1
InChIInChI=1S/C11H16N2O2/c1-2-6-13-11(14)5-7-12-9-10-4-3-8-15-10/h2-4,8,12H,1,5-7,9H2,(H,13,14)
InChIKeyGZAXLQVYEKESDP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.06
Rot. Bonds7

About 3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide

3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide (PubChem CID 109011813) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide
PubChem CID109011813
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCNCc1ccco1
InChIInChI=1S/C11H16N2O2/c1-2-6-13-11(14)5-7-12-9-10-4-3-8-15-10/h2-4,8,12H,1,5-7,9H2,(H,13,14)
InChIKeyGZAXLQVYEKESDP-UHFFFAOYSA-N
XLogP1.06
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
CID 109018586
3-(furan-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 60765510
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide
CID 109014635
4-(furan-2-ylmethylamino)butanehydrazide
CID 30031566
2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 110914043
N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide
CID 109018711
N-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethylamino)propanamide
CID 109018590
N-(furan-2-ylmethyl)-2-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]acetamide
CID 110982703
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
3-(ethylamino)-N-[2-(furan-2-yl)ethyl]propanamide
CID 62831565
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide (CID 109011813) is 3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)CCNCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide?
The InChIKey is GZAXLQVYEKESDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-6-13-11(14)5-7-12-9-10-4-3-8-15-10/h2-4,8,12H,1,5-7,9H2,(H,13,14).
What are the key properties of 3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide?
3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide has a molecular weight of 208.26 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 109011813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).