2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide

C19H20N2O2 — CID 3593728

IUPAC2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C19H20N2O2/c1-15(7-8-16-5-3-2-4-6-16)21-19(22)14-23-18-11-9-17(13-20)10-12-18/h2-6,9-12,15H,7-8,14H2,1H3,(H,21,22)
InChIKeyMYXZAMNXSUCTRU-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.07
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide

2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 3593728) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID3593728
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C19H20N2O2/c1-15(7-8-16-5-3-2-4-6-16)21-19(22)14-23-18-11-9-17(13-20)10-12-18/h2-6,9-12,15H,7-8,14H2,1H3,(H,21,22)
InChIKeyMYXZAMNXSUCTRU-UHFFFAOYSA-N
XLogP3.07
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(4-cyanophenoxy)acetate
CID 7843086
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide
CID 115661987
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 51172702
N-[1-(4-cyanophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55582792
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide
CID 55944631
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-methylphenoxy)acetate
CID 95795801

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide (CID 3593728) is 2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is MYXZAMNXSUCTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-15(7-8-16-5-3-2-4-6-16)21-19(22)14-23-18-11-9-17(13-20)10-12-18/h2-6,9-12,15H,7-8,14H2,1H3,(H,21,22).
What are the key properties of 2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide?
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.07, 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-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 3593728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).