N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide

C18H21NO3 — CID 110767880

IUPACN-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C18H21NO3/c1-19(13-14-7-5-4-6-8-14)18(20)11-15-9-10-16(21-2)12-17(15)22-3/h4-10,12H,11,13H2,1-3H3
InChIKeyDUHXJJFTVRPUFC-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.90
Rot. Bonds6

About N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide

N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide (PubChem CID 110767880) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
PubChem CID110767880
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C18H21NO3/c1-19(13-14-7-5-4-6-8-14)18(20)11-15-9-10-16(21-2)12-17(15)22-3/h4-10,12H,11,13H2,1-3H3
InChIKeyDUHXJJFTVRPUFC-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 55368172
2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78806852
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 112790494
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 31883866
2-(2-methoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 110724807
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide (CID 110767880) is N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide is COc1ccc(CC(=O)N(C)Cc2ccccc2)c(OC)c1.
What is the InChIKey of N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide?
The InChIKey is DUHXJJFTVRPUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-19(13-14-7-5-4-6-8-14)18(20)11-15-9-10-16(21-2)12-17(15)22-3/h4-10,12H,11,13H2,1-3H3.
What are the key properties of N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide?
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide has a molecular weight of 299.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 110767880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).