N-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide

C14H20N2O2 — CID 90426897

IUPACN-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide
SMILESCCCc1ccc(CC(=O)NC2C[NH+]([O-])C2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-3-11-4-6-12(7-5-11)8-14(17)15-13-9-16(18)10-13/h4-7,13,16H,2-3,8-10H2,1H3,(H,15,17)
InChIKeySEFKELXEOVWGRW-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.06
Rot. Bonds5

About N-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide

N-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide (PubChem CID 90426897) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide
PubChem CID90426897
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide
SMILESCCCc1ccc(CC(=O)NC2C[NH+]([O-])C2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-3-11-4-6-12(7-5-11)8-14(17)15-13-9-16(18)10-13/h4-7,13,16H,2-3,8-10H2,1H3,(H,15,17)
InChIKeySEFKELXEOVWGRW-UHFFFAOYSA-N
XLogP0.06
TPSA56.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107021542
2-(4-butylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549772
N',N'-dimethyl-2-(4-propylphenyl)acetohydrazide
CID 116847421
1-(4-propylphenyl)propan-2-one
CID 82490574
2-(4-ethoxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 78785999
N'-[2-(4-propylphenyl)acetyl]benzohydrazide
CID 134106335
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
N'-hydroxy-4-propylbenzohydrazide
CID 18359035
N-(3,5-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107030984
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
N-cyclobutyl-2-(4-sulfanylphenyl)acetamide
CID 107028316

Frequently Asked Questions

What is the IUPAC name of N-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide?
The IUPAC name of N-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide (CID 90426897) is N-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide.
What is the SMILES notation for N-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide?
The canonical SMILES for N-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide is CCCc1ccc(CC(=O)NC2C[NH+]([O-])C2)cc1.
What is the InChIKey of N-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide?
The InChIKey is SEFKELXEOVWGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-11-4-6-12(7-5-11)8-14(17)15-13-9-16(18)10-13/h4-7,13,16H,2-3,8-10H2,1H3,(H,15,17).
What are the key properties of N-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide?
N-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxidoazetidin-1-ium-3-yl)-2-(4-propylphenyl)acetamide is sourced from PubChem (CID 90426897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).