[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate

C15H20N2O6 — CID 9200500

IUPAC[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCNC(=O)CN(C)C(=O)COC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20N2O6/c1-16-13(18)8-17(2)14(19)9-23-15(20)10-5-6-11(21-3)12(7-10)22-4/h5-7H,8-9H2,1-4H3,(H,16,18)
InChIKeyRVXQHSCLUXUKDH-UHFFFAOYSA-N
MW324.33 g/mol
LogP0.06
Rot. Bonds7

About [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate (PubChem CID 9200500) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate
PubChem CID9200500
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCNC(=O)CN(C)C(=O)COC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20N2O6/c1-16-13(18)8-17(2)14(19)9-23-15(20)10-5-6-11(21-3)12(7-10)22-4/h5-7H,8-9H2,1-4H3,(H,16,18)
InChIKeyRVXQHSCLUXUKDH-UHFFFAOYSA-N
XLogP0.06
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592276
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 8510147
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 55402104
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200491
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540552
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2571968
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558699
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903773
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8624976
2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid
CID 119346726
2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
CID 936334

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate?
The IUPAC name of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate (CID 9200500) is [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate.
What is the SMILES notation for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate?
The canonical SMILES for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate is CNC(=O)CN(C)C(=O)COC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate?
The InChIKey is RVXQHSCLUXUKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-16-13(18)8-17(2)14(19)9-23-15(20)10-5-6-11(21-3)12(7-10)22-4/h5-7H,8-9H2,1-4H3,(H,16,18).
What are the key properties of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate?
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate has a molecular weight of 324.33 g/mol, XLogP of 0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate is sourced from PubChem (CID 9200500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).