N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide

C12H13N3O2 — CID 63281967

IUPACN-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CC(O)C1
InChIInChI=1S/C12H13N3O2/c13-5-9-3-1-2-4-11(9)14-12(17)8-15-6-10(16)7-15/h1-4,10,16H,6-8H2,(H,14,17)
InChIKeyDKWUWHGRYCYMBW-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.17
Rot. Bonds3

About N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide

N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide (PubChem CID 63281967) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
PubChem CID63281967
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CC(O)C1
InChIInChI=1S/C12H13N3O2/c13-5-9-3-1-2-4-11(9)14-12(17)8-15-6-10(16)7-15/h1-4,10,16H,6-8H2,(H,14,17)
InChIKeyDKWUWHGRYCYMBW-UHFFFAOYSA-N
XLogP0.17
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930267
1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 799678
2-(2-cyanomorpholin-4-yl)-N-(2-cyanophenyl)acetamide
CID 79674698
N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106669459
methyl 1-[2-(2-cyanoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731411
N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 1439590
N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 671206
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 63596583
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
CID 2653850
N-(2-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 670932
N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55482155
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide (CID 63281967) is N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide is N#Cc1ccccc1NC(=O)CN1CC(O)C1.
What is the InChIKey of N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The InChIKey is DKWUWHGRYCYMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-5-9-3-1-2-4-11(9)14-12(17)8-15-6-10(16)7-15/h1-4,10,16H,6-8H2,(H,14,17).
What are the key properties of N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide has a molecular weight of 231.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide is sourced from PubChem (CID 63281967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).