methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate

C20H23ClN2O5 — CID 56542104

IUPACmethyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
SMILESCOC(=O)C(C)(COc1ccccc1)NCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C20H23ClN2O5/c1-20(19(25)27-3,13-28-15-7-5-4-6-8-15)22-12-18(24)23-16-11-14(21)9-10-17(16)26-2/h4-11,22H,12-13H2,1-3H3,(H,23,24)
InChIKeyAINRBQYMDFLWGO-UHFFFAOYSA-N
MW406.87 g/mol
LogP2.89
Rot. Bonds9

About methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate

methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate (PubChem CID 56542104) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
PubChem CID56542104
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC Namemethyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
SMILESCOC(=O)C(C)(COc1ccccc1)NCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C20H23ClN2O5/c1-20(19(25)27-3,13-28-15-7-5-4-6-8-15)22-12-18(24)23-16-11-14(21)9-10-17(16)26-2/h4-11,22H,12-13H2,1-3H3,(H,23,24)
InChIKeyAINRBQYMDFLWGO-UHFFFAOYSA-N
XLogP2.89
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate
CID 56792966
methyl 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542072
methyl 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542013
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4783296
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyphenyl)acetamide
CID 33482506
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
2-(5-chloro-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 26417328
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105369
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate?
The IUPAC name of methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate (CID 56542104) is methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate.
What is the SMILES notation for methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate?
The canonical SMILES for methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate is COC(=O)C(C)(COc1ccccc1)NCC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate?
The InChIKey is AINRBQYMDFLWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5/c1-20(19(25)27-3,13-28-15-7-5-4-6-8-15)22-12-18(24)23-16-11-14(21)9-10-17(16)26-2/h4-11,22H,12-13H2,1-3H3,(H,23,24).
What are the key properties of methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate?
methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate has a molecular weight of 406.87 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate is sourced from PubChem (CID 56542104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).