2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide

C15H22N2O3 — CID 116675843

IUPAC2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide
SMILESCOCCOc1ccc(NC(=O)C(C)C2CNC2)cc1
InChIInChI=1S/C15H22N2O3/c1-11(12-9-16-10-12)15(18)17-13-3-5-14(6-4-13)20-8-7-19-2/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyUHRYPSUWGUVGKN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.51
Rot. Bonds7

About 2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide

2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide (PubChem CID 116675843) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide
PubChem CID116675843
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide
SMILESCOCCOc1ccc(NC(=O)C(C)C2CNC2)cc1
InChIInChI=1S/C15H22N2O3/c1-11(12-9-16-10-12)15(18)17-13-3-5-14(6-4-13)20-8-7-19-2/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyUHRYPSUWGUVGKN-UHFFFAOYSA-N
XLogP1.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
CID 116675796
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide
CID 116675582
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723429
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide
CID 86981512
2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 116675266
2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide
CID 116675283
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 116675831
2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide
CID 107805144

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide (CID 116675843) is 2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide is COCCOc1ccc(NC(=O)C(C)C2CNC2)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide?
The InChIKey is UHRYPSUWGUVGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(12-9-16-10-12)15(18)17-13-3-5-14(6-4-13)20-8-7-19-2/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide?
2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide is sourced from PubChem (CID 116675843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).