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

C20H25NO5 — CID 113095748

IUPACN-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
SMILESCOc1cc(CCN(C)C(=O)COc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H25NO5/c1-21(19(22)14-26-16-8-6-5-7-9-16)11-10-15-12-17(23-2)20(25-4)18(13-15)24-3/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyHTAKDCSJWMVKDZ-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.79
Rot. Bonds9

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

N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide (PubChem CID 113095748) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
PubChem CID113095748
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
SMILESCOc1cc(CCN(C)C(=O)COc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H25NO5/c1-21(19(22)14-26-16-8-6-5-7-9-16)11-10-15-12-17(23-2)20(25-4)18(13-15)24-3/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyHTAKDCSJWMVKDZ-UHFFFAOYSA-N
XLogP2.79
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
2-(2-acetamidophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7873862
N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide
CID 19746251
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-phenoxyacetamide
CID 110733086
2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7757349
4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095739
1,2-dimethyl-1-(2-phenoxyethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111273421
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 31795480
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The IUPAC name of N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide (CID 113095748) is N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide is COc1cc(CCN(C)C(=O)COc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The InChIKey is HTAKDCSJWMVKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-21(19(22)14-26-16-8-6-5-7-9-16)11-10-15-12-17(23-2)20(25-4)18(13-15)24-3/h5-9,12-13H,10-11,14H2,1-4H3.
What are the key properties of N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide has a molecular weight of 359.42 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113095748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).