2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide

C17H16N2O2 — CID 62879005

IUPAC2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide
SMILESCOc1ccc(N(C)C(=O)C(C#N)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c1-19(14-8-10-15(21-2)11-9-14)17(20)16(12-18)13-6-4-3-5-7-13/h3-11,16H,1-2H3
InChIKeyRUQFGFJTBHNTER-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.97
Rot. Bonds4

About 2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide

2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide (PubChem CID 62879005) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide
PubChem CID62879005
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide
SMILESCOc1ccc(N(C)C(=O)C(C#N)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c1-19(14-8-10-15(21-2)11-9-14)17(20)16(12-18)13-6-4-3-5-7-13/h3-11,16H,1-2H3
InChIKeyRUQFGFJTBHNTER-UHFFFAOYSA-N
XLogP2.97
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 682096
2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 159061964
2-[(4-methoxyphenyl)-methylcarbamoyl]butanoic acid
CID 115185896
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
3-(2-fluoro-4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 102883259
3-(2,5-dimethoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 60975493
3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
CID 102127116
3-chloro-N-[cyano(phenyl)methyl]-N-(4-methoxyphenyl)propanamide
CID 3504640
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 62877874
2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 81056043
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
2-(7-methoxynaphthalen-2-yl)oxy-N-methyl-N-phenylpropanamide
CID 42899705

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide (CID 62879005) is 2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide is COc1ccc(N(C)C(=O)C(C#N)c2ccccc2)cc1.
What is the InChIKey of 2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide?
The InChIKey is RUQFGFJTBHNTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19(14-8-10-15(21-2)11-9-14)17(20)16(12-18)13-6-4-3-5-7-13/h3-11,16H,1-2H3.
What are the key properties of 2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide?
2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide has a molecular weight of 280.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide is sourced from PubChem (CID 62879005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).