2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide

C17H24N2O2 — CID 51172702

IUPAC2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C17H24N2O2/c1-13(2)5-4-6-14(3)19-17(20)12-21-16-9-7-15(11-18)8-10-16/h7-10,13-14H,4-6,12H2,1-3H3,(H,19,20)
InChIKeyLGTUYBLOCGQELW-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.27
Rot. Bonds8

About 2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide

2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide (PubChem CID 51172702) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
PubChem CID51172702
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C17H24N2O2/c1-13(2)5-4-6-14(3)19-17(20)12-21-16-9-7-15(11-18)8-10-16/h7-10,13-14H,4-6,12H2,1-3H3,(H,19,20)
InChIKeyLGTUYBLOCGQELW-UHFFFAOYSA-N
XLogP3.27
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
CID 32613683
2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide
CID 115661987
2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 61036016
2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115662181
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217343
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
2-[[2-(4-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43091829
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide (CID 51172702) is 2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide is CC(C)CCCC(C)NC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is LGTUYBLOCGQELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)5-4-6-14(3)19-17(20)12-21-16-9-7-15(11-18)8-10-16/h7-10,13-14H,4-6,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide?
2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 51172702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).