2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide

C23H30N2O3 — CID 132657434

IUPAC2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C
InChIInChI=1S/C23H30N2O3/c1-6-24-23(27)19(5)25(14-20-10-8-7-9-17(20)3)22(26)15-28-21-12-11-16(2)13-18(21)4/h7-13,19H,6,14-15H2,1-5H3,(H,24,27)
InChIKeyMTSWJGWHTIALCJ-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.54
Rot. Bonds8

About 2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide

2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide (PubChem CID 132657434) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide
PubChem CID132657434
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C
InChIInChI=1S/C23H30N2O3/c1-6-24-23(27)19(5)25(14-20-10-8-7-9-17(20)3)22(26)15-28-21-12-11-16(2)13-18(21)4/h7-13,19H,6,14-15H2,1-5H3,(H,24,27)
InChIKeyMTSWJGWHTIALCJ-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132707079
N-butan-2-yl-2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132707003
N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132707135
(2S)-N-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100564917
N-ethyl-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132655254
(2R)-2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100549736
2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132654822
2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132660365
2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133232827
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132707007
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100529981
N-ethyl-2-[[2-(4-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132653228

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide (CID 132657434) is 2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C.
What is the InChIKey of 2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide?
The InChIKey is MTSWJGWHTIALCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-24-23(27)19(5)25(14-20-10-8-7-9-17(20)3)22(26)15-28-21-12-11-16(2)13-18(21)4/h7-13,19H,6,14-15H2,1-5H3,(H,24,27).
What are the key properties of 2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide?
2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide has a molecular weight of 382.50 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 132657434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).