2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide

C13H21F3N2O2 — CID 116676468

IUPAC2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(C)=C1CNC1
InChIInChI=1S/C13H21F3N2O2/c1-3-20-6-4-5-18(9-13(14,15)16)12(19)10(2)11-7-17-8-11/h17H,3-9H2,1-2H3
InChIKeyQOVNTCXZZZZXCV-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.72
Rot. Bonds7

About 2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide

2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 116676468) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID116676468
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(C)=C1CNC1
InChIInChI=1S/C13H21F3N2O2/c1-3-20-6-4-5-18(9-13(14,15)16)12(19)10(2)11-7-17-8-11/h17H,3-9H2,1-2H3
InChIKeyQOVNTCXZZZZXCV-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 116676468) is 2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide is CCOCCCN(CC(F)(F)F)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QOVNTCXZZZZXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-3-20-6-4-5-18(9-13(14,15)16)12(19)10(2)11-7-17-8-11/h17H,3-9H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 294.32 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 116676468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).