2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide

C14H18N2O3 — CID 115771645

IUPAC2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide
SMILESCCN(CCCO)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O3/c1-2-16(8-3-9-17)14(18)11-19-13-6-4-12(10-15)5-7-13/h4-7,17H,2-3,8-9,11H2,1H3
InChIKeyKJMSISXJMFAOCH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.17
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide

2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide (PubChem CID 115771645) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide
PubChem CID115771645
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide
SMILESCCN(CCCO)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O3/c1-2-16(8-3-9-17)14(18)11-19-13-6-4-12(10-15)5-7-13/h4-7,17H,2-3,8-9,11H2,1H3
InChIKeyKJMSISXJMFAOCH-UHFFFAOYSA-N
XLogP1.17
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655991
2-(4-cyanophenoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 43243455
2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
CID 61344785
N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide
CID 142802537
N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide
CID 60655198
2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide
CID 43269672
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60696515
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide
CID 83969246
2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 78883338
2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103188840
2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112698009

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide (CID 115771645) is 2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide is CCN(CCCO)C(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is KJMSISXJMFAOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-16(8-3-9-17)14(18)11-19-13-6-4-12(10-15)5-7-13/h4-7,17H,2-3,8-9,11H2,1H3.
What are the key properties of 2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide?
2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 115771645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).