4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide

C18H18N2O3 — CID 27774409

IUPAC4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(C#N)cc2)c(OC)c1
InChIInChI=1S/C18H18N2O3/c1-20(18(21)14-6-4-13(11-19)5-7-14)12-15-8-9-16(22-2)10-17(15)23-3/h4-10H,12H2,1-3H3
InChIKeyXYLISXCDTOIYCU-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.85
Rot. Bonds5

About 4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide

4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 27774409) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide
PubChem CID27774409
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(C#N)cc2)c(OC)c1
InChIInChI=1S/C18H18N2O3/c1-20(18(21)14-6-4-13(11-19)5-7-14)12-15-8-9-16(22-2)10-17(15)23-3/h4-10H,12H2,1-3H3
InChIKeyXYLISXCDTOIYCU-UHFFFAOYSA-N
XLogP2.85
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 47230621
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 78852195
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32893963
4-[[[(2,4-dimethoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 122019707
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxy-N-methylbenzamide
CID 18111735
N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 27774705

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide (CID 27774409) is 4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccc(C#N)cc2)c(OC)c1.
What is the InChIKey of 4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is XYLISXCDTOIYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20(18(21)14-6-4-13(11-19)5-7-14)12-15-8-9-16(22-2)10-17(15)23-3/h4-10H,12H2,1-3H3.
What are the key properties of 4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 310.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 27774409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).