3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide

C23H30N2O4 — CID 7936258

IUPAC3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)CCOc1cc(C)ccc1C
InChIInChI=1S/C23H30N2O4/c1-5-13-25(16-22(26)24-19-8-6-7-9-20(19)28-4)23(27)12-14-29-21-15-17(2)10-11-18(21)3/h6-11,15H,5,12-14,16H2,1-4H3,(H,24,26)
InChIKeyRCUPWTULFXAMTQ-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.96
Rot. Bonds10

About 3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide

3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide (PubChem CID 7936258) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide
PubChem CID7936258
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)CCOc1cc(C)ccc1C
InChIInChI=1S/C23H30N2O4/c1-5-13-25(16-22(26)24-19-8-6-7-9-20(19)28-4)23(27)12-14-29-21-15-17(2)10-11-18(21)3/h6-11,15H,5,12-14,16H2,1-4H3,(H,24,26)
InChIKeyRCUPWTULFXAMTQ-UHFFFAOYSA-N
XLogP3.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8786909
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 30046523
N-ethyl-3-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methylbenzamide
CID 46563290
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)-N-methylpropanamide
CID 9114741
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
2-(2-methoxyethylamino)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 119682407
N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55330592
2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8620896
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55904497

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide (CID 7936258) is 3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCOc1cc(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide?
The InChIKey is RCUPWTULFXAMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-5-13-25(16-22(26)24-19-8-6-7-9-20(19)28-4)23(27)12-14-29-21-15-17(2)10-11-18(21)3/h6-11,15H,5,12-14,16H2,1-4H3,(H,24,26).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide?
3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide has a molecular weight of 398.50 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide is sourced from PubChem (CID 7936258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).