2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide

C15H20N2O2 — CID 32613683

IUPAC2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
SMILESCC(C)CCCNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-12(2)4-3-9-17-15(18)11-19-14-7-5-13(10-16)6-8-14/h5-8,12H,3-4,9,11H2,1-2H3,(H,17,18)
InChIKeyDEPMSHPWPNNDET-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.49
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide

2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide (PubChem CID 32613683) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
PubChem CID32613683
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
SMILESCC(C)CCCNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-12(2)4-3-9-17-15(18)11-19-14-7-5-13(10-16)6-8-14/h5-8,12H,3-4,9,11H2,1-2H3,(H,17,18)
InChIKeyDEPMSHPWPNNDET-UHFFFAOYSA-N
XLogP2.49
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 51172702
2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992
2-[4-(4-cyanophenyl)phenoxy]-N-hexadecylacetamide
CID 3468682
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]butanoate
CID 9019829
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide
CID 95167799
[2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140972
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619
2-(4-cyanophenoxy)-N-(2-sulfamoylethyl)acetamide
CID 43552443
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide
CID 16540648

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide (CID 32613683) is 2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide is CC(C)CCCNC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide?
The InChIKey is DEPMSHPWPNNDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(2)4-3-9-17-15(18)11-19-14-7-5-13(10-16)6-8-14/h5-8,12H,3-4,9,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide?
2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide is sourced from PubChem (CID 32613683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).