N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide

C19H20N2O3 — CID 78852195

IUPACN-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(OC)c(CC(=O)N(C)Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H20N2O3/c1-21(13-15-6-4-14(12-20)5-7-15)19(22)11-16-10-17(23-2)8-9-18(16)24-3/h4-10H,11,13H2,1-3H3
InChIKeyLDBKEKIKSFJBPH-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.78
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide

N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide (PubChem CID 78852195) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
PubChem CID78852195
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(OC)c(CC(=O)N(C)Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H20N2O3/c1-21(13-15-6-4-14(12-20)5-7-15)19(22)11-16-10-17(23-2)8-9-18(16)24-3/h4-10H,11,13H2,1-3H3
InChIKeyLDBKEKIKSFJBPH-UHFFFAOYSA-N
XLogP2.78
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78806852
2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8529237
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
N-[(4-cyanophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 39858381
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
2-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806385
4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 27774409
2-[4-(4-cyanophenyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78759927
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide (CID 78852195) is N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide is COc1ccc(OC)c(CC(=O)N(C)Cc2ccc(C#N)cc2)c1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide?
The InChIKey is LDBKEKIKSFJBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21(13-15-6-4-14(12-20)5-7-15)19(22)11-16-10-17(23-2)8-9-18(16)24-3/h4-10H,11,13H2,1-3H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide?
N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide has a molecular weight of 324.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 78852195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).