[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

C18H26N2O6 — CID 8885400

IUPAC[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NCC(=O)N(C)C)cc1OCC
InChIInChI=1S/C18H26N2O6/c1-5-9-25-14-8-7-13(10-15(14)24-6-2)18(23)26-12-16(21)19-11-17(22)20(3)4/h7-8,10H,5-6,9,11-12H2,1-4H3,(H,19,21)
InChIKeyYEZSDLGDXWVZHH-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.24
Rot. Bonds10

About [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (PubChem CID 8885400) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
PubChem CID8885400
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NCC(=O)N(C)C)cc1OCC
InChIInChI=1S/C18H26N2O6/c1-5-9-25-14-8-7-13(10-15(14)24-6-2)18(23)26-12-16(21)19-11-17(22)20(3)4/h7-8,10H,5-6,9,11-12H2,1-4H3,(H,19,21)
InChIKeyYEZSDLGDXWVZHH-UHFFFAOYSA-N
XLogP1.24
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 2646544
[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
CID 8537066
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 24685903
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561915
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619530
[2-(3,5-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 42371527
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556805
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 30388748
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018443
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 7904228
3-ethoxy-N',N'-dimethyl-4-propoxybenzohydrazide
CID 9164038
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316134

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (CID 8885400) is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.
What is the SMILES notation for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The canonical SMILES for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)NCC(=O)N(C)C)cc1OCC.
What is the InChIKey of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The InChIKey is YEZSDLGDXWVZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-5-9-25-14-8-7-13(10-15(14)24-6-2)18(23)26-12-16(21)19-11-17(22)20(3)4/h7-8,10H,5-6,9,11-12H2,1-4H3,(H,19,21).
What are the key properties of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate has a molecular weight of 366.41 g/mol, XLogP of 1.24, 10 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-ethoxy-4-propoxybenzoate is sourced from PubChem (CID 8885400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).