2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide

C15H20N2O2 — CID 43269672

IUPAC2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)COc1ccc(C#N)cc1)C(C)C
InChIInChI=1S/C15H20N2O2/c1-4-9-17(12(2)3)15(18)11-19-14-7-5-13(10-16)6-8-14/h5-8,12H,4,9,11H2,1-3H3
InChIKeyZKHFIUYFHHQAHS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.58
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide

2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide (PubChem CID 43269672) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide
PubChem CID43269672
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)COc1ccc(C#N)cc1)C(C)C
InChIInChI=1S/C15H20N2O2/c1-4-9-17(12(2)3)15(18)11-19-14-7-5-13(10-16)6-8-14/h5-8,12H,4,9,11H2,1-3H3
InChIKeyZKHFIUYFHHQAHS-UHFFFAOYSA-N
XLogP2.58
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103188840
2-(4-cyanophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655991
N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide
CID 78867603
2-(4-cyanophenoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 43243455
N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide
CID 60977397
2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771645
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112698009
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9141078
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
3-[2-(4-cyanophenoxy)ethyl-propan-2-ylamino]propanoic acid
CID 60838663

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide (CID 43269672) is 2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide is CCCN(C(=O)COc1ccc(C#N)cc1)C(C)C.
What is the InChIKey of 2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide?
The InChIKey is ZKHFIUYFHHQAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-9-17(12(2)3)15(18)11-19-14-7-5-13(10-16)6-8-14/h5-8,12H,4,9,11H2,1-3H3.
What are the key properties of 2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide?
2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide has a molecular weight of 260.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide is sourced from PubChem (CID 43269672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).