N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide

C21H26Cl2N2O3 — CID 16620426

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)NCc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C21H26Cl2N2O3/c1-4-25(13-15-6-9-19(28-5-2)20(10-15)27-3)14-21(26)24-12-16-7-8-17(22)11-18(16)23/h6-11H,4-5,12-14H2,1-3H3,(H,24,26)
InChIKeyBWFRGELUJBNBFS-UHFFFAOYSA-N
MW425.36 g/mol
LogP4.54
Rot. Bonds10

About N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide (PubChem CID 16620426) has the molecular formula C21H26Cl2N2O3 and a molecular weight of 425.36 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
PubChem CID16620426
Molecular FormulaC21H26Cl2N2O3
Molecular Weight425.36 g/mol
Exact Mass424.13
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)NCc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C21H26Cl2N2O3/c1-4-25(13-15-6-9-19(28-5-2)20(10-15)27-3)14-21(26)24-12-16-7-8-17(22)11-18(16)23/h6-11H,4-5,12-14H2,1-3H3,(H,24,26)
InChIKeyBWFRGELUJBNBFS-UHFFFAOYSA-N
XLogP4.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 8798739
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18229693
N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16608734
N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151896
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
N-(2,6-dichloro-3-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620409
1-[(2,4-dichlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157404
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16620475
N-[(2,4-dichlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045958
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 16620430
N-(1,3-benzodioxol-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620402

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide (CID 16620426) is N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide is CCOc1ccc(CN(CC)CC(=O)NCc2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
The InChIKey is BWFRGELUJBNBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O3/c1-4-25(13-15-6-9-19(28-5-2)20(10-15)27-3)14-21(26)24-12-16-7-8-17(22)11-18(16)23/h6-11H,4-5,12-14H2,1-3H3,(H,24,26).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide has a molecular weight of 425.36 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide is sourced from PubChem (CID 16620426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).