N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide

C21H27NO4 — CID 78808317

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
SMILESCCOc1ccc(CC(=O)N(CC)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-5-22(15-17-9-12-19(24-3)20(13-17)25-4)21(23)14-16-7-10-18(11-8-16)26-6-2/h7-13H,5-6,14-15H2,1-4H3
InChIKeyDTSIVXSVXXOOQU-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.69
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide (PubChem CID 78808317) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
PubChem CID78808317
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
SMILESCCOc1ccc(CC(=O)N(CC)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-5-22(15-17-9-12-19(24-3)20(13-17)25-4)21(23)14-16-7-10-18(11-8-16)26-6-2/h7-13H,5-6,14-15H2,1-4H3
InChIKeyDTSIVXSVXXOOQU-UHFFFAOYSA-N
XLogP3.69
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55401705
2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 27891131
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018288
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]-ethylamino]acetate
CID 61383632
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 38843447
2-(2,5-dichlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55398454
N-benzyl-N-ethyl-2-(4-methoxy-3-methylphenyl)acetamide
CID 100769618
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide
CID 78808455

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide (CID 78808317) is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide is CCOc1ccc(CC(=O)N(CC)Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide?
The InChIKey is DTSIVXSVXXOOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-22(15-17-9-12-19(24-3)20(13-17)25-4)21(23)14-16-7-10-18(11-8-16)26-6-2/h7-13H,5-6,14-15H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide has a molecular weight of 357.45 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide is sourced from PubChem (CID 78808317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).