4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

C17H16N2O2 — CID 23508555

IUPAC4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H16N2O2/c1-19(12-14-5-9-16(21-2)10-6-14)17(20)15-7-3-13(11-18)4-8-15/h3-10H,12H2,1-2H3
InChIKeySWGJDWPQZHTQNQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.84
Rot. Bonds4

About 4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 23508555) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID23508555
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H16N2O2/c1-19(12-14-5-9-16(21-2)10-6-14)17(20)15-7-3-13(11-18)4-8-15/h3-10H,12H2,1-2H3
InChIKeySWGJDWPQZHTQNQ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 27774409
5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 63718577
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7925766
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55580007
N-[(4-cyanophenyl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 39858958
N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 39859854
3-bromo-N-[(4-cyanophenyl)methyl]-N,4-dimethylbenzamide
CID 79459673
N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 78852195
3-[(4-cyanophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111272436
4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 178070557
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (CID 23508555) is 4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is SWGJDWPQZHTQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19(12-14-5-9-16(21-2)10-6-14)17(20)15-7-3-13(11-18)4-8-15/h3-10H,12H2,1-2H3.
What are the key properties of 4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 280.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 23508555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).