N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide

C12H17N3O2 — CID 75266971

IUPACN-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide
SMILESCC1CC(NC(=O)COc2ccccc2)NN1
InChIInChI=1S/C12H17N3O2/c1-9-7-11(15-14-9)13-12(16)8-17-10-5-3-2-4-6-10/h2-6,9,11,14-15H,7-8H2,1H3,(H,13,16)
InChIKeyOZWZLESJRUMNBK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.39
Rot. Bonds4

About N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide

N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide (PubChem CID 75266971) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide
PubChem CID75266971
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide
SMILESCC1CC(NC(=O)COc2ccccc2)NN1
InChIInChI=1S/C12H17N3O2/c1-9-7-11(15-14-9)13-12(16)8-17-10-5-3-2-4-6-10/h2-6,9,11,14-15H,7-8H2,1H3,(H,13,16)
InChIKeyOZWZLESJRUMNBK-UHFFFAOYSA-N
XLogP0.39
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide
CID 104826135
2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120600141
N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
CID 11162770
2-phenoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 2921422
N-(6-methyloxan-3-yl)-2-phenoxyacetamide
CID 155627872
[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate
CID 11821934
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide
CID 67744007

Frequently Asked Questions

What is the IUPAC name of N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide (CID 75266971) is N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide is CC1CC(NC(=O)COc2ccccc2)NN1.
What is the InChIKey of N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide?
The InChIKey is OZWZLESJRUMNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-7-11(15-14-9)13-12(16)8-17-10-5-3-2-4-6-10/h2-6,9,11,14-15H,7-8H2,1H3,(H,13,16).
What are the key properties of N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide?
N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide has a molecular weight of 235.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 75266971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).