[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate

C17H24N2O6 — CID 8619530

IUPAC[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
SMILESCCOCc1cc(C(=O)OCC(=O)NCC(=O)N(C)C)ccc1OC
InChIInChI=1S/C17H24N2O6/c1-5-24-10-13-8-12(6-7-14(13)23-4)17(22)25-11-15(20)18-9-16(21)19(2)3/h6-8H,5,9-11H2,1-4H3,(H,18,20)
InChIKeyHBLLZNZBFJYCRN-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.59
Rot. Bonds9

About [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate (PubChem CID 8619530) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
PubChem CID8619530
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
SMILESCCOCc1cc(C(=O)OCC(=O)NCC(=O)N(C)C)ccc1OC
InChIInChI=1S/C17H24N2O6/c1-5-24-10-13-8-12(6-7-14(13)23-4)17(22)25-11-15(20)18-9-16(21)19(2)3/h6-8H,5,9-11H2,1-4H3,(H,18,20)
InChIKeyHBLLZNZBFJYCRN-UHFFFAOYSA-N
XLogP0.59
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate with MolForge

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8618711
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619206
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8618837
(2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619174
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8885400
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018443
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228996
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619126
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8618904
(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619399
[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619256
[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 9478773

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate?
The IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate (CID 8619530) is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate.
What is the SMILES notation for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate?
The canonical SMILES for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate is CCOCc1cc(C(=O)OCC(=O)NCC(=O)N(C)C)ccc1OC.
What is the InChIKey of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate?
The InChIKey is HBLLZNZBFJYCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-5-24-10-13-8-12(6-7-14(13)23-4)17(22)25-11-15(20)18-9-16(21)19(2)3/h6-8H,5,9-11H2,1-4H3,(H,18,20).
What are the key properties of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate?
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate has a molecular weight of 352.39 g/mol, XLogP of 0.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate is sourced from PubChem (CID 8619530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).