[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate

C21H23ClN2O5 — CID 7153111

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
SMILESCc1ccc(Cl)c(OCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C21H23ClN2O5/c1-15-2-7-18(22)19(12-15)28-14-21(26)29-13-20(25)23-16-3-5-17(6-4-16)24-8-10-27-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,23,25)
InChIKeyLBFGKSAANWTEQT-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.05
Rot. Bonds7

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate (PubChem CID 7153111) has the molecular formula C21H23ClN2O5 and a molecular weight of 418.88 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
PubChem CID7153111
Molecular FormulaC21H23ClN2O5
Molecular Weight418.88 g/mol
Exact Mass418.13
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
SMILESCc1ccc(Cl)c(OCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C21H23ClN2O5/c1-15-2-7-18(22)19(12-15)28-14-21(26)29-13-20(25)23-16-3-5-17(6-4-16)24-8-10-27-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,23,25)
InChIKeyLBFGKSAANWTEQT-UHFFFAOYSA-N
XLogP3.05
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichlorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2588764
methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7570532
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564028
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7551228
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 4790672
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 42965226
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2417027
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511135
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 7990034
2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820741
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234832

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate (CID 7153111) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate is Cc1ccc(Cl)c(OCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate?
The InChIKey is LBFGKSAANWTEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5/c1-15-2-7-18(22)19(12-15)28-14-21(26)29-13-20(25)23-16-3-5-17(6-4-16)24-8-10-27-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,23,25).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate has a molecular weight of 418.88 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate is sourced from PubChem (CID 7153111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).