2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide

C15H18N2O3 — CID 47314511

IUPAC2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCC2CCCOC2)cc1
InChIInChI=1S/C15H18N2O3/c16-8-12-3-5-14(6-4-12)20-11-15(18)17-9-13-2-1-7-19-10-13/h3-6,13H,1-2,7,9-11H2,(H,17,18)
InChIKeyXSYJHGFHTCFODJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.48
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide

2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide (PubChem CID 47314511) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide
PubChem CID47314511
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCC2CCCOC2)cc1
InChIInChI=1S/C15H18N2O3/c16-8-12-3-5-14(6-4-12)20-11-15(18)17-9-13-2-1-7-19-10-13/h3-6,13H,1-2,7,9-11H2,(H,17,18)
InChIKeyXSYJHGFHTCFODJ-UHFFFAOYSA-N
XLogP1.48
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2789933
2-(2-cyanophenoxy)-N-(propan-2-yl)acetamide
CID 2565339
4-(Piperidin-4-yloxy)benzonitrile
CID 11241109
2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
2-(4-fluorophenoxy)-N-(4-methoxybenzyl)acetamide
CID 887507
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 3681202
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 4384413
2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 4801465
2-(Cyclohexylamino)-2-oxoethyl 2-(2-cyanophenoxy)acetate
CID 4858603
1-acetyl-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 9439687
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 729861
N-ethyl-2-(4-ethylphenoxy)acetamide
CID 3474705

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide (CID 47314511) is 2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide is N#Cc1ccc(OCC(=O)NCC2CCCOC2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide?
The InChIKey is XSYJHGFHTCFODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-8-12-3-5-14(6-4-12)20-11-15(18)17-9-13-2-1-7-19-10-13/h3-6,13H,1-2,7,9-11H2,(H,17,18).
What are the key properties of 2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide?
2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide is sourced from PubChem (CID 47314511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).