2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide

C16H20N2O3 — CID 61344785

IUPAC2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCO1)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H20N2O3/c1-2-18(11-15-4-3-9-20-15)16(19)12-21-14-7-5-13(10-17)6-8-14/h5-8,15H,2-4,9,11-12H2,1H3
InChIKeyFKOCGHFGWXFSFM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.96
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide

2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 61344785) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID61344785
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCO1)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H20N2O3/c1-2-18(11-15-4-3-9-20-15)16(19)12-21-14-7-5-13(10-17)6-8-14/h5-8,15H,2-4,9,11-12H2,1H3
InChIKeyFKOCGHFGWXFSFM-UHFFFAOYSA-N
XLogP1.96
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94817152
N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide
CID 91841175
2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771645
6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95402245
2-(4-cyanophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 51076291
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277
2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733141
2-(4-cyanophenoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 43243455
4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435563
N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 60520005
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide
CID 91764944
2-(4-bromophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 40851324

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide (CID 61344785) is 2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide is CCN(CC1CCCO1)C(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FKOCGHFGWXFSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-18(11-15-4-3-9-20-15)16(19)12-21-14-7-5-13(10-17)6-8-14/h5-8,15H,2-4,9,11-12H2,1H3.
What are the key properties of 2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide?
2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 61344785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).