2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide

C23H28Cl2N2O3 — CID 132675020

IUPAC2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)cc1C
InChIInChI=1S/C23H28Cl2N2O3/c1-5-20(23(29)26-6-2)27(13-17-18(24)8-7-9-19(17)25)22(28)14-30-21-11-10-15(3)12-16(21)4/h7-12,20H,5-6,13-14H2,1-4H3,(H,26,29)
InChIKeyLJTJZEIOZVTHKO-UHFFFAOYSA-N
MW451.39 g/mol
LogP4.93
Rot. Bonds9

About 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide

2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide (PubChem CID 132675020) has the molecular formula C23H28Cl2N2O3 and a molecular weight of 451.39 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide
PubChem CID132675020
Molecular FormulaC23H28Cl2N2O3
Molecular Weight451.39 g/mol
Exact Mass450.15
IUPAC Name2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)cc1C
InChIInChI=1S/C23H28Cl2N2O3/c1-5-20(23(29)26-6-2)27(13-17-18(24)8-7-9-19(17)25)22(28)14-30-21-11-10-15(3)12-16(21)4/h7-12,20H,5-6,13-14H2,1-4H3,(H,26,29)
InChIKeyLJTJZEIOZVTHKO-UHFFFAOYSA-N
XLogP4.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132621028
2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132721020
(2S)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]propanamide
CID 100599183
2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]-N-ethylbutanamide
CID 132672258
N-butyl-2-[(2-chlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]butanamide
CID 132715453
N-butan-2-yl-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide
CID 132724814
2-[[2-(2,4-dimethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide
CID 132661239
2-[(2,6-dichlorophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132724771
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 132679828
2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132675208
(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100596406
(2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 100543108

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide (CID 132675020) is 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide is CCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)cc1C.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide?
The InChIKey is LJTJZEIOZVTHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O3/c1-5-20(23(29)26-6-2)27(13-17-18(24)8-7-9-19(17)25)22(28)14-30-21-11-10-15(3)12-16(21)4/h7-12,20H,5-6,13-14H2,1-4H3,(H,26,29).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide?
2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide has a molecular weight of 451.39 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide is sourced from PubChem (CID 132675020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).