N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide

C14H18N2O2 — CID 78547582

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
SMILESCC(C)C(C)(C#N)NC(=O)COc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-11(2)14(3,10-15)16-13(17)9-18-12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3,(H,16,17)
InChIKeyWCWNFICITOQUPK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.12
Rot. Bonds5

About N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide

N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide (PubChem CID 78547582) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
PubChem CID78547582
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
SMILESCC(C)C(C)(C#N)NC(=O)COc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-11(2)14(3,10-15)16-13(17)9-18-12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3,(H,16,17)
InChIKeyWCWNFICITOQUPK-UHFFFAOYSA-N
XLogP2.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026918
2-(3-bromophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7818301
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966668
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 4828464
2-[4-(aminomethyl)phenoxy]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 106484798
4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
CID 7931335
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8604749
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140979
2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7867252
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 41466460
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7265853

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide (CID 78547582) is N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide is CC(C)C(C)(C#N)NC(=O)COc1ccccc1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide?
The InChIKey is WCWNFICITOQUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11(2)14(3,10-15)16-13(17)9-18-12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide has a molecular weight of 246.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 78547582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).