[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate

C15H19ClN2O5 — CID 9014966

IUPAC[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H19ClN2O5/c1-4-15(21)23-9-14(20)18(2)8-13(19)17-11-7-10(16)5-6-12(11)22-3/h5-7H,4,8-9H2,1-3H3,(H,17,19)
InChIKeyMXLQYIFSSAFCHH-UHFFFAOYSA-N
MW342.78 g/mol
LogP1.70
Rot. Bonds7

About [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate

[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate (PubChem CID 9014966) has the molecular formula C15H19ClN2O5 and a molecular weight of 342.78 g/mol. Its IUPAC name is [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
PubChem CID9014966
Molecular FormulaC15H19ClN2O5
Molecular Weight342.78 g/mol
Exact Mass342.10
IUPAC Name[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H19ClN2O5/c1-4-15(21)23-9-14(20)18(2)8-13(19)17-11-7-10(16)5-6-12(11)22-3/h5-7H,4,8-9H2,1-3H3,(H,17,19)
InChIKeyMXLQYIFSSAFCHH-UHFFFAOYSA-N
XLogP1.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]acetamide
CID 8501332
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 8501233
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide
CID 9009590
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 9438071
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
2-[[2-[benzyl(ethyl)amino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8563570
N-(5-chloro-2-methoxyphenyl)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 8926523
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(cyclooctylamino)-N-methylacetamide
CID 8558739
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate?
The IUPAC name of [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate (CID 9014966) is [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate.
What is the SMILES notation for [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate?
The canonical SMILES for [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate is CCC(=O)OCC(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate?
The InChIKey is MXLQYIFSSAFCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5/c1-4-15(21)23-9-14(20)18(2)8-13(19)17-11-7-10(16)5-6-12(11)22-3/h5-7H,4,8-9H2,1-3H3,(H,17,19).
What are the key properties of [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate?
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate has a molecular weight of 342.78 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate is sourced from PubChem (CID 9014966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).