2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide

C14H20N2O2 — CID 116677534

IUPAC2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide
SMILESCC(C(=O)NC(C)c1cc(C)oc1C)=C1CNC1
InChIInChI=1S/C14H20N2O2/c1-8-5-13(11(4)18-8)10(3)16-14(17)9(2)12-6-15-7-12/h5,10,15H,6-7H2,1-4H3,(H,16,17)
InChIKeyVQOQZQAYIAPJNL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.99
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide

2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide (PubChem CID 116677534) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide
PubChem CID116677534
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide
SMILESCC(C(=O)NC(C)c1cc(C)oc1C)=C1CNC1
InChIInChI=1S/C14H20N2O2/c1-8-5-13(11(4)18-8)10(3)16-14(17)9(2)12-6-15-7-12/h5,10,15H,6-7H2,1-4H3,(H,16,17)
InChIKeyVQOQZQAYIAPJNL-UHFFFAOYSA-N
XLogP1.99
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.99
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

2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 104892386
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
2-(azetidin-3-ylidene)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 116678300
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopropane-1-carboxamide
CID 114995788
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102779269
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86852234
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60597945
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423858
1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 95142311
1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 56820991

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide (CID 116677534) is 2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide is CC(C(=O)NC(C)c1cc(C)oc1C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide?
The InChIKey is VQOQZQAYIAPJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-8-5-13(11(4)18-8)10(3)16-14(17)9(2)12-6-15-7-12/h5,10,15H,6-7H2,1-4H3,(H,16,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide?
2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide is sourced from PubChem (CID 116677534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).