[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate

C14H18N2O5 — CID 9018336

IUPAC[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate
SMILESCN(C)C(=O)CNC(=O)COC(=O)COc1ccccc1
InChIInChI=1S/C14H18N2O5/c1-16(2)13(18)8-15-12(17)9-21-14(19)10-20-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,17)
InChIKeyJMKSPOYYFGUUJN-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.19
Rot. Bonds7

About [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate (PubChem CID 9018336) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate
PubChem CID9018336
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate
SMILESCN(C)C(=O)CNC(=O)COC(=O)COc1ccccc1
InChIInChI=1S/C14H18N2O5/c1-16(2)13(18)8-15-12(17)9-21-14(19)10-20-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,17)
InChIKeyJMKSPOYYFGUUJN-UHFFFAOYSA-N
XLogP-0.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9336248
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732823
[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
CID 7980270
2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9013268
N-methyl-N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47163246
N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119583859
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 8647741
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018443
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 9480621
methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate
CID 3935127

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate (CID 9018336) is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate is CN(C)C(=O)CNC(=O)COC(=O)COc1ccccc1.
What is the InChIKey of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is JMKSPOYYFGUUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-16(2)13(18)8-15-12(17)9-21-14(19)10-20-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,17).
What are the key properties of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate?
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 294.31 g/mol, XLogP of -0.19, 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-phenoxyacetate is sourced from PubChem (CID 9018336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).