3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide

C20H24N2O4 — CID 46584839

IUPAC3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CCOc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-14-10-15(2)12-18(11-14)26-9-8-19(23)21-16-4-6-17(7-5-16)22-20(24)13-25-3/h4-7,10-12H,8-9,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRXKPMWPXSDPLEA-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.30
Rot. Bonds8

About 3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide

3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide (PubChem CID 46584839) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
PubChem CID46584839
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CCOc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-14-10-15(2)12-18(11-14)26-9-8-19(23)21-16-4-6-17(7-5-16)22-20(24)13-25-3/h4-7,10-12H,8-9,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRXKPMWPXSDPLEA-UHFFFAOYSA-N
XLogP3.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate
CID 55709060
[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl] thiocyanate
CID 17034710
3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55573139
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 35504895
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethylphenoxy)propanamide
CID 35505939
3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide
CID 60549520

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide (CID 46584839) is 3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide is COCC(=O)Nc1ccc(NC(=O)CCOc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide?
The InChIKey is RXKPMWPXSDPLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-10-15(2)12-18(11-14)26-9-8-19(23)21-16-4-6-17(7-5-16)22-20(24)13-25-3/h4-7,10-12H,8-9,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide?
3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide has a molecular weight of 356.42 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 46584839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).