2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide

C13H24N2O2 — CID 116677558

IUPAC2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide
SMILESCC(C(=O)NCCOCCC(C)C)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-10(2)4-6-17-7-5-15-13(16)11(3)12-8-14-9-12/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyOAZMFRQVZDEPPT-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.09
Rot. Bonds7

About 2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide

2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide (PubChem CID 116677558) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide
PubChem CID116677558
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide
SMILESCC(C(=O)NCCOCCC(C)C)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-10(2)4-6-17-7-5-15-13(16)11(3)12-8-14-9-12/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyOAZMFRQVZDEPPT-UHFFFAOYSA-N
XLogP1.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide
CID 106236627
2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
CID 116678145
2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 116678882
2-(azetidin-3-ylidene)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 107152926
2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide
CID 116674896
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide
CID 116678663
2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide
CID 116679121
2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
CID 116674617
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane
CID 155748733
N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide (CID 116677558) is 2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide is CC(C(=O)NCCOCCC(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide?
The InChIKey is OAZMFRQVZDEPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)4-6-17-7-5-15-13(16)11(3)12-8-14-9-12/h10,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide?
2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide has a molecular weight of 240.35 g/mol, XLogP of 1.09, 7 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-[2-(3-methylbutoxy)ethyl]propanamide is sourced from PubChem (CID 116677558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).