[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate

C15H20N2O5 — CID 9336248

IUPAC[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NCC(=O)N(C)C
InChIInChI=1S/C15H20N2O5/c1-11-6-4-5-7-12(11)21-10-15(20)22-9-13(18)16-8-14(19)17(2)3/h4-7H,8-10H2,1-3H3,(H,16,18)
InChIKeyGAWWLRIEPYYXSF-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.12
Rot. Bonds7

About [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 9336248) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID9336248
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NCC(=O)N(C)C
InChIInChI=1S/C15H20N2O5/c1-11-6-4-5-7-12(11)21-10-15(20)22-9-13(18)16-8-14(19)17(2)3/h4-7H,8-10H2,1-3H3,(H,16,18)
InChIKeyGAWWLRIEPYYXSF-UHFFFAOYSA-N
XLogP0.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335908
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018336
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732823
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335548
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2553995
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8581872
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767828
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555539
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2352522
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 8647741

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 9336248) is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)NCC(=O)N(C)C.
What is the InChIKey of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is GAWWLRIEPYYXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-11-6-4-5-7-12(11)21-10-15(20)22-9-13(18)16-8-14(19)17(2)3/h4-7H,8-10H2,1-3H3,(H,16,18).
What are the key properties of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 308.33 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 9336248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).