3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide

C13H18N2O3 — CID 63282614

IUPAC3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CC(O)C1
InChIInChI=1S/C13H18N2O3/c1-18-12-5-3-2-4-11(12)14-13(17)6-7-15-8-10(16)9-15/h2-5,10,16H,6-9H2,1H3,(H,14,17)
InChIKeyAIAJHNBTCISHIZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.70
Rot. Bonds5

About 3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide

3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 63282614) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID63282614
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CC(O)C1
InChIInChI=1S/C13H18N2O3/c1-18-12-5-3-2-4-11(12)14-13(17)6-7-15-8-10(16)9-15/h2-5,10,16H,6-9H2,1H3,(H,14,17)
InChIKeyAIAJHNBTCISHIZ-UHFFFAOYSA-N
XLogP0.70
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 17034881
3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide
CID 63282500
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 56525571
N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide
CID 97250421
4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 46682622
3-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methoxyphenyl)propanamide
CID 43065717
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)propanamide
CID 87015722
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide;hydrochloride
CID 44782286
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 106133704

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide (CID 63282614) is 3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCN1CC(O)C1.
What is the InChIKey of 3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is AIAJHNBTCISHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-12-5-3-2-4-11(12)14-13(17)6-7-15-8-10(16)9-15/h2-5,10,16H,6-9H2,1H3,(H,14,17).
What are the key properties of 3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide?
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 63282614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).