2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide

C14H20N2O2 — CID 116677486

IUPAC2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide
SMILESCC(C(=O)NCCOc1ccccc1)C1CNC1
InChIInChI=1S/C14H20N2O2/c1-11(12-9-15-10-12)14(17)16-7-8-18-13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3,(H,16,17)
InChIKeyFHQNMYJMJLUMPB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.04
Rot. Bonds6

About 2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide

2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide (PubChem CID 116677486) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide
PubChem CID116677486
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide
SMILESCC(C(=O)NCCOc1ccccc1)C1CNC1
InChIInChI=1S/C14H20N2O2/c1-11(12-9-15-10-12)14(17)16-7-8-18-13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3,(H,16,17)
InChIKeyFHQNMYJMJLUMPB-UHFFFAOYSA-N
XLogP1.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-2-sulfanylpropanamide
CID 107026809
2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide
CID 116675843
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
2-(azetidin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 64609991
N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide
CID 83146902
2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate
CID 116678814
(2R)-N-cyclopentyl-2-(2-phenoxyethylamino)propanamide
CID 94613245
2,3-diamino-N-(2-phenoxyethyl)propanamide
CID 59654100
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
2-(3-phenoxypropylamino)-N-propylpropanamide
CID 60695598

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide (CID 116677486) is 2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide is CC(C(=O)NCCOc1ccccc1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide?
The InChIKey is FHQNMYJMJLUMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(12-9-15-10-12)14(17)16-7-8-18-13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide?
2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 116677486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).