[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate

C15H18N2O6 — CID 8806365

IUPAC[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCNC(=O)CNC(=O)COC(=O)COc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H18N2O6/c1-10(18)11-3-5-12(6-4-11)22-9-15(21)23-8-14(20)17-7-13(19)16-2/h3-6H,7-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyLZULTYVEOAYSHG-UHFFFAOYSA-N
MW322.32 g/mol
LogP-0.33
Rot. Bonds8

About [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate

[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate (PubChem CID 8806365) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
PubChem CID8806365
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCNC(=O)CNC(=O)COC(=O)COc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H18N2O6/c1-10(18)11-3-5-12(6-4-11)22-9-15(21)23-8-14(20)17-7-13(19)16-2/h3-6H,7-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyLZULTYVEOAYSHG-UHFFFAOYSA-N
XLogP-0.33
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8806310
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
CID 7980270
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806352
methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate
CID 3935127
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7196243
methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 8806342
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 24558117
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8638261
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806359
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018336

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The IUPAC name of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate (CID 8806365) is [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate.
What is the SMILES notation for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The canonical SMILES for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate is CNC(=O)CNC(=O)COC(=O)COc1ccc(C(C)=O)cc1.
What is the InChIKey of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The InChIKey is LZULTYVEOAYSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-10(18)11-3-5-12(6-4-11)22-9-15(21)23-8-14(20)17-7-13(19)16-2/h3-6H,7-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate has a molecular weight of 322.32 g/mol, XLogP of -0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate is sourced from PubChem (CID 8806365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).