3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide

C12H16N2O2 — CID 63282500

IUPAC3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide
SMILESO=C(CCN1CC(O)C1)Nc1ccccc1
InChIInChI=1S/C12H16N2O2/c15-11-8-14(9-11)7-6-12(16)13-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,13,16)
InChIKeyMTFAPOLLPYQRAO-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.69
Rot. Bonds4

About 3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide

3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide (PubChem CID 63282500) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide
PubChem CID63282500
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide
SMILESO=C(CCN1CC(O)C1)Nc1ccccc1
InChIInChI=1S/C12H16N2O2/c15-11-8-14(9-11)7-6-12(16)13-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,13,16)
InChIKeyMTFAPOLLPYQRAO-UHFFFAOYSA-N
XLogP0.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide
CID 81491276
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 115647931
3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
CID 86928095
3-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-phenylpropanamide
CID 95159240
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-bromophenyl)propanamide
CID 120760427
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
3-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-phenylpropanamide
CID 47060175
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide
CID 120774507

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide?
The IUPAC name of 3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide (CID 63282500) is 3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide is O=C(CCN1CC(O)C1)Nc1ccccc1.
What is the InChIKey of 3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide?
The InChIKey is MTFAPOLLPYQRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11-8-14(9-11)7-6-12(16)13-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,13,16).
What are the key properties of 3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide?
3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide has a molecular weight of 220.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 63282500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).