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

C24H30Cl2N2O3 — CID 132721020

IUPAC2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
SMILESCc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)C(C)C(=O)NCC(C)C)c(C)c1
InChIInChI=1S/C24H30Cl2N2O3/c1-15(2)12-27-24(30)18(5)28(13-19-20(25)7-6-8-21(19)26)23(29)14-31-22-10-9-16(3)11-17(22)4/h6-11,15,18H,12-14H2,1-5H3,(H,27,30)
InChIKeyNOAAIWSAYJRRGP-UHFFFAOYSA-N
MW465.42 g/mol
LogP5.18
Rot. Bonds9

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

2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 132721020) has the molecular formula C24H30Cl2N2O3 and a molecular weight of 465.42 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
PubChem CID132721020
Molecular FormulaC24H30Cl2N2O3
Molecular Weight465.42 g/mol
Exact Mass464.16
IUPAC Name2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
SMILESCc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)C(C)C(=O)NCC(C)C)c(C)c1
InChIInChI=1S/C24H30Cl2N2O3/c1-15(2)12-27-24(30)18(5)28(13-19-20(25)7-6-8-21(19)26)23(29)14-31-22-10-9-16(3)11-17(22)4/h6-11,15,18H,12-14H2,1-5H3,(H,27,30)
InChIKeyNOAAIWSAYJRRGP-UHFFFAOYSA-N
XLogP5.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132675020
2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132621028
(2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100717518
2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133174252
2-[[2-(2,6-dichlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132984809
2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132671264
2-[(2,6-dichlorophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132724771
(2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 100543108
(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 100514713
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132704766
2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132736547

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide (CID 132721020) is 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide is Cc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)C(C)C(=O)NCC(C)C)c(C)c1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide?
The InChIKey is NOAAIWSAYJRRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O3/c1-15(2)12-27-24(30)18(5)28(13-19-20(25)7-6-8-21(19)26)23(29)14-31-22-10-9-16(3)11-17(22)4/h6-11,15,18H,12-14H2,1-5H3,(H,27,30).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide?
2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 465.42 g/mol, XLogP of 5.18, 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 132721020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).