3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide

C21H27NO5 — CID 46446575

IUPAC3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C21H27NO5/c1-14-8-15(2)10-17(9-14)27-7-6-21(23)22-13-16-11-19(25-4)20(26-5)12-18(16)24-3/h8-12H,6-7,13H2,1-5H3,(H,22,23)
InChIKeyMATGXYGHXDKMJE-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.41
Rot. Bonds9

About 3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide

3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 46446575) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID46446575
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C21H27NO5/c1-14-8-15(2)10-17(9-14)27-7-6-21(23)22-13-16-11-19(25-4)20(26-5)12-18(16)24-3/h8-12H,6-7,13H2,1-5H3,(H,22,23)
InChIKeyMATGXYGHXDKMJE-UHFFFAOYSA-N
XLogP3.41
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121489
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
CID 43418206
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17034727
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide
CID 48583873
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 110780278
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34600439
4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 120587250

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide (CID 46446575) is 3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(OC)c(OC)cc1CNC(=O)CCOc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is MATGXYGHXDKMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-14-8-15(2)10-17(9-14)27-7-6-21(23)22-13-16-11-19(25-4)20(26-5)12-18(16)24-3/h8-12H,6-7,13H2,1-5H3,(H,22,23).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 373.45 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 46446575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).