N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide

C21H27NO6 — CID 7930585

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H27NO6/c1-22(13-15-7-8-16(24-2)12-17(15)25-3)20(23)11-14-9-18(26-4)21(28-6)19(10-14)27-5/h7-10,12H,11,13H2,1-6H3
InChIKeyMVXMXAAFQUINKX-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.93
Rot. Bonds9

About N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 7930585) has the molecular formula C21H27NO6 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID7930585
Molecular FormulaC21H27NO6
Molecular Weight389.45 g/mol
Exact Mass389.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H27NO6/c1-22(13-15-7-8-16(24-2)12-17(15)25-3)20(23)11-14-9-18(26-4)21(28-6)19(10-14)27-5/h7-10,12H,11,13H2,1-6H3
InChIKeyMVXMXAAFQUINKX-UHFFFAOYSA-N
XLogP2.93
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31145252
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 112790479
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 112790494
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 119682698
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide (CID 7930585) is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide is COc1ccc(CN(C)C(=O)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is MVXMXAAFQUINKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6/c1-22(13-15-7-8-16(24-2)12-17(15)25-3)20(23)11-14-9-18(26-4)21(28-6)19(10-14)27-5/h7-10,12H,11,13H2,1-6H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 389.45 g/mol, XLogP of 2.93, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 7930585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).