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

C21H27NO5 — CID 36568354

IUPACN-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCOc1cc(CNC(=O)COc2cc(C)cc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C21H27NO5/c1-13-7-14(2)15(3)17(8-13)27-12-20(23)22-11-16-9-18(24-4)21(26-6)19(10-16)25-5/h7-10H,11-12H2,1-6H3,(H,22,23)
InChIKeyCFKZYKOCDCYXCB-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.33
Rot. Bonds8

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

N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 36568354) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID36568354
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC NameN-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCOc1cc(CNC(=O)COc2cc(C)cc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C21H27NO5/c1-13-7-14(2)15(3)17(8-13)27-12-20(23)22-11-16-9-18(24-4)21(26-6)19(10-16)25-5/h7-10H,11-12H2,1-6H3,(H,22,23)
InChIKeyCFKZYKOCDCYXCB-UHFFFAOYSA-N
XLogP3.33
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 92676497
2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27893473
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 30715668
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7686438
2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9012523
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 37004225
2-cyano-N-[[4-methoxy-3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22684082
2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112978354
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34964094
3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100642767

Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide (CID 36568354) is N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide is COc1cc(CNC(=O)COc2cc(C)cc(C)c2C)cc(OC)c1OC.
What is the InChIKey of N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is CFKZYKOCDCYXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-13-7-14(2)15(3)17(8-13)27-12-20(23)22-11-16-9-18(24-4)21(26-6)19(10-16)25-5/h7-10H,11-12H2,1-6H3,(H,22,23).
What are the key properties of N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide?
N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 373.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 36568354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).