2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide

C20H23Cl2NO4 — CID 4882099

IUPAC2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCCOc1ccc(CN(C)C(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C20H23Cl2NO4/c1-5-26-18-8-6-14(10-19(18)25-4)12-23(3)20(24)13(2)27-17-9-7-15(21)11-16(17)22/h6-11,13H,5,12H2,1-4H3
InChIKeyAOOFTHWJNWYICF-UHFFFAOYSA-N
MW412.31 g/mol
LogP4.83
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide

2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 4882099) has the molecular formula C20H23Cl2NO4 and a molecular weight of 412.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID4882099
Molecular FormulaC20H23Cl2NO4
Molecular Weight412.31 g/mol
Exact Mass411.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCCOc1ccc(CN(C)C(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C20H23Cl2NO4/c1-5-26-18-8-6-14(10-19(18)25-4)12-23(3)20(24)13(2)27-17-9-7-15(21)11-16(17)22/h6-11,13H,5,12H2,1-4H3
InChIKeyAOOFTHWJNWYICF-UHFFFAOYSA-N
XLogP4.83
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2164093
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 99954741
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140765
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 43885933
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 31147863
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 43904782
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide (CID 4882099) is 2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide is CCOc1ccc(CN(C)C(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is AOOFTHWJNWYICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO4/c1-5-26-18-8-6-14(10-19(18)25-4)12-23(3)20(24)13(2)27-17-9-7-15(21)11-16(17)22/h6-11,13H,5,12H2,1-4H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide?
2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 412.31 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 4882099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).