[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate

C13H15NO6 — CID 2406119

IUPAC[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate
SMILESCOC(=O)CNC(=O)COC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H15NO6/c1-18-10-5-3-9(4-6-10)13(17)20-8-11(15)14-7-12(16)19-2/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyDVDSUBUGIRVYPC-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.14
Rot. Bonds6

About [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate

[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate (PubChem CID 2406119) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate
PubChem CID2406119
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate
SMILESCOC(=O)CNC(=O)COC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H15NO6/c1-18-10-5-3-9(4-6-10)13(17)20-8-11(15)14-7-12(16)19-2/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyDVDSUBUGIRVYPC-UHFFFAOYSA-N
XLogP0.14
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 18286834
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
CID 7862075
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519513
methyl 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]acetate
CID 24690991
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 8815875
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate
CID 9011270
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744442
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8646726
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 4797418

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate?
The IUPAC name of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate (CID 2406119) is [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate?
The canonical SMILES for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate is COC(=O)CNC(=O)COC(=O)c1ccc(OC)cc1.
What is the InChIKey of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate?
The InChIKey is DVDSUBUGIRVYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c1-18-10-5-3-9(4-6-10)13(17)20-8-11(15)14-7-12(16)19-2/h3-6H,7-8H2,1-2H3,(H,14,15).
What are the key properties of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate?
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate has a molecular weight of 281.26 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-methoxybenzoate is sourced from PubChem (CID 2406119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).