N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide

C21H25ClN2O5 — CID 108541249

IUPACN-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCNC(=O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C21H25ClN2O5/c1-14-10-16(11-15(2)21(14)22)28-12-19(25)23-8-9-24-20(26)13-29-18-7-5-4-6-17(18)27-3/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWHNSABREFFDVLB-UHFFFAOYSA-N
MW420.89 g/mol
LogP2.66
Rot. Bonds10

About N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 108541249) has the molecular formula C21H25ClN2O5 and a molecular weight of 420.89 g/mol. Its IUPAC name is N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID108541249
Molecular FormulaC21H25ClN2O5
Molecular Weight420.89 g/mol
Exact Mass420.15
IUPAC NameN-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCNC(=O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C21H25ClN2O5/c1-14-10-16(11-15(2)21(14)22)28-12-19(25)23-8-9-24-20(26)13-29-18-7-5-4-6-17(18)27-3/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWHNSABREFFDVLB-UHFFFAOYSA-N
XLogP2.66
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide
CID 4943310
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108539806
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43843181
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
CID 108542880
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-sulfanylbenzamide
CID 108541230
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide
CID 108538493
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 9007896
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide
CID 2268369
2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene
CID 2284147

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide (CID 108541249) is N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCNC(=O)COc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is WHNSABREFFDVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5/c1-14-10-16(11-15(2)21(14)22)28-12-19(25)23-8-9-24-20(26)13-29-18-7-5-4-6-17(18)27-3/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 420.89 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 108541249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).