N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide

C15H20N2O2 — CID 60654576

IUPACN-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide
SMILESCC(C)CN(CCC#N)C(=O)COc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-13(2)11-17(10-6-9-16)15(18)12-19-14-7-4-3-5-8-14/h3-5,7-8,13H,6,10-12H2,1-2H3
InChIKeyCNZORBWYWDNLED-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.46
Rot. Bonds7

About N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide

N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide (PubChem CID 60654576) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide
PubChem CID60654576
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide
SMILESCC(C)CN(CCC#N)C(=O)COc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-13(2)11-17(10-6-9-16)15(18)12-19-14-7-4-3-5-8-14/h3-5,7-8,13H,6,10-12H2,1-2H3
InChIKeyCNZORBWYWDNLED-UHFFFAOYSA-N
XLogP2.46
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide
CID 60977397
N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide
CID 51095519
N,N-bis(cyanomethyl)-2-phenoxyacetamide
CID 842502
2-(4-cyanophenoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 43243455
2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide
CID 79473506
3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190370
2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide
CID 78765430
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54790525
3-[[2-(3-bromophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119189919
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 16533251
N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide
CID 51142804
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide (CID 60654576) is N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide is CC(C)CN(CCC#N)C(=O)COc1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide?
The InChIKey is CNZORBWYWDNLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-13(2)11-17(10-6-9-16)15(18)12-19-14-7-4-3-5-8-14/h3-5,7-8,13H,6,10-12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide?
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide has a molecular weight of 260.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide is sourced from PubChem (CID 60654576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).