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

C15H20N2O3 — CID 47230621

IUPAC2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)(C)C#N)c(OC)c1
InChIInChI=1S/C15H20N2O3/c1-15(2,10-16)14(18)17(3)9-11-6-7-12(19-4)8-13(11)20-5/h6-8H,9H2,1-5H3
InChIKeyXFVSREYSQDGXLQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.21
Rot. Bonds5

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

2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide (PubChem CID 47230621) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
PubChem CID47230621
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)(C)C#N)c(OC)c1
InChIInChI=1S/C15H20N2O3/c1-15(2,10-16)14(18)17(3)9-11-6-7-12(19-4)8-13(11)20-5/h6-8H,9H2,1-5H3
InChIKeyXFVSREYSQDGXLQ-UHFFFAOYSA-N
XLogP2.21
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119682743
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 27774409
2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115175144
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-cyano-3-(2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 82131291
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide (CID 47230621) is 2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide is COc1ccc(CN(C)C(=O)C(C)(C)C#N)c(OC)c1.
What is the InChIKey of 2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide?
The InChIKey is XFVSREYSQDGXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,10-16)14(18)17(3)9-11-6-7-12(19-4)8-13(11)20-5/h6-8H,9H2,1-5H3.
What are the key properties of 2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide?
2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 47230621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).