N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H18N2O2 — CID 112602590

IUPACN-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1ccc(C#N)cc1NC(=O)COC(C)(C)C
InChIInChI=1S/C14H18N2O2/c1-10-5-6-11(8-15)7-12(10)16-13(17)9-18-14(2,3)4/h5-7H,9H2,1-4H3,(H,16,17)
InChIKeyFYDJLIGOAHLMLX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.62
Rot. Bonds3

About N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112602590) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112602590
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1ccc(C#N)cc1NC(=O)COC(C)(C)C
InChIInChI=1S/C14H18N2O2/c1-10-5-6-11(8-15)7-12(10)16-13(17)9-18-14(2,3)4/h5-7H,9H2,1-4H3,(H,16,17)
InChIKeyFYDJLIGOAHLMLX-UHFFFAOYSA-N
XLogP2.62
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
N-(5-acetamido-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950028
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide
CID 62678428
2-(4-cyanophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 7961641
methyl 2-(5-cyano-2-methylanilino)-2-oxoacetate
CID 112617117
N-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604369
N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 47475886
3-(5-cyano-2-methylphenyl)-1,1-diethylurea
CID 78983855
2-(1-aminocyclopentyl)-N-(5-cyano-2-methylphenyl)acetamide
CID 64679673
2-(5-cyano-2-methylanilino)-N-ethylacetamide
CID 62059546

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112602590) is N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is Cc1ccc(C#N)cc1NC(=O)COC(C)(C)C.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is FYDJLIGOAHLMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-5-6-11(8-15)7-12(10)16-13(17)9-18-14(2,3)4/h5-7H,9H2,1-4H3,(H,16,17).
What are the key properties of N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112602590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).