2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide

C12H14N2O2 — CID 60778681

IUPAC2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccccc1NC(=O)C(C)(C)C#N
InChIInChI=1S/C12H14N2O2/c1-12(2,8-13)11(15)14-9-6-4-5-7-10(9)16-3/h4-7H,1-3H3,(H,14,15)
InChIKeyXOSDOUBUXIVNJD-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.18
Rot. Bonds3

About 2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide

2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide (PubChem CID 60778681) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
PubChem CID60778681
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccccc1NC(=O)C(C)(C)C#N
InChIInChI=1S/C12H14N2O2/c1-12(2,8-13)11(15)14-9-6-4-5-7-10(9)16-3/h4-7H,1-3H3,(H,14,15)
InChIKeyXOSDOUBUXIVNJD-UHFFFAOYSA-N
XLogP2.18
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
CID 22287395
2-cyano-2-methyl-N-(2-methylphenyl)propanamide
CID 60778630
2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide
CID 115174937
N-(2-methoxyphenyl)-2,2,2-triphenylacetamide
CID 11188554
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
ethane;(2-methoxyphenyl)urea
CID 143063924
N-(3,4-dimethoxyphenyl)-N'-(2-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969309
1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea
CID 60969499
N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide
CID 115898158
N-(2-ethenyl-3-methoxyphenyl)-2,2-dimethylpropanamide
CID 20571856
(2R)-2-bromo-4,4,4-trifluoro-N-(2-methoxyphenyl)-3-oxobutanamide
CID 129452961
N-(2-methoxyphenyl)-3-oxo-2,2-bis(phenylsulfanyl)butanamide
CID 20530108

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide (CID 60778681) is 2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide is COc1ccccc1NC(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide?
The InChIKey is XOSDOUBUXIVNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,8-13)11(15)14-9-6-4-5-7-10(9)16-3/h4-7H,1-3H3,(H,14,15).
What are the key properties of 2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide?
2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide has a molecular weight of 218.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 60778681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).