[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

C20H30N2O7 — CID 9201503

IUPAC[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)N(C)CC(=O)NC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C20H30N2O7/c1-20(2,3)21-16(23)11-22(4)17(24)12-29-18(25)10-13-8-14(26-5)19(28-7)15(9-13)27-6/h8-9H,10-12H2,1-7H3,(H,21,23)
InChIKeyLHOQBIVMMQFTMN-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.17
Rot. Bonds9

About [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 9201503) has the molecular formula C20H30N2O7 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID9201503
Molecular FormulaC20H30N2O7
Molecular Weight410.47 g/mol
Exact Mass410.21
IUPAC Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)N(C)CC(=O)NC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C20H30N2O7/c1-20(2,3)21-16(23)11-22(4)17(24)12-29-18(25)10-13-8-14(26-5)19(28-7)15(9-13)27-6/h8-9H,10-12H2,1-7H3,(H,21,23)
InChIKeyLHOQBIVMMQFTMN-UHFFFAOYSA-N
XLogP1.17
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate with MolForge

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Related Compounds

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 55400918
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 55401924
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 4528014
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 8808299
N-ethoxy-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168994
[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2365804
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573383
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 55402104
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-methoxy-5-nitrobenzoate
CID 40666691
N-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide
CID 18118239
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]acetamide
CID 24660351
2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61329426

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 9201503) is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)OCC(=O)N(C)CC(=O)NC(C)(C)C)cc(OC)c1OC.
What is the InChIKey of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is LHOQBIVMMQFTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O7/c1-20(2,3)21-16(23)11-22(4)17(24)12-29-18(25)10-13-8-14(26-5)19(28-7)15(9-13)27-6/h8-9H,10-12H2,1-7H3,(H,21,23).
What are the key properties of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 410.47 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 9201503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).