2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide

C13H15N3O — CID 116674524

IUPAC2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)C1CNC1
InChIInChI=1S/C13H15N3O/c1-9(11-7-15-8-11)13(17)16-12-4-2-10(6-14)3-5-12/h2-5,9,11,15H,7-8H2,1H3,(H,16,17)
InChIKeyLSKHIXALHOZWIB-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.35
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide

2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide (PubChem CID 116674524) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
PubChem CID116674524
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)C1CNC1
InChIInChI=1S/C13H15N3O/c1-9(11-7-15-8-11)13(17)16-12-4-2-10(6-14)3-5-12/h2-5,9,11,15H,7-8H2,1H3,(H,16,17)
InChIKeyLSKHIXALHOZWIB-UHFFFAOYSA-N
XLogP1.35
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-cyano-3-(trifluoromethyl)phenyl]propanamide
CID 116678216
2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 116675266
(2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide
CID 121325031
2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide
CID 116675843
2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide
CID 116675283
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 116675831
1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea
CID 62047244
N-(4-cyanophenyl)-2-propan-2-yloxypropanamide
CID 43824380
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide (CID 116674524) is 2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide is CC(C(=O)Nc1ccc(C#N)cc1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide?
The InChIKey is LSKHIXALHOZWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(11-7-15-8-11)13(17)16-12-4-2-10(6-14)3-5-12/h2-5,9,11,15H,7-8H2,1H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide?
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide has a molecular weight of 229.28 g/mol, XLogP of 1.35, 3 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-(4-cyanophenyl)propanamide is sourced from PubChem (CID 116674524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).