[2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate

C13H16N2O6 — CID 2504725

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H16N2O6/c1-14-13(18)15-11(16)7-21-12(17)9-5-4-8(19-2)6-10(9)20-3/h4-6H,7H2,1-3H3,(H2,14,15,16,18)
InChIKeyKBZJOOMEZXBZOJ-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.32
Rot. Bonds5

About [2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate

[2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate (PubChem CID 2504725) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
PubChem CID2504725
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H16N2O6/c1-14-13(18)15-11(16)7-21-12(17)9-5-4-8(19-2)6-10(9)20-3/h4-6H,7H2,1-3H3,(H2,14,15,16,18)
InChIKeyKBZJOOMEZXBZOJ-UHFFFAOYSA-N
XLogP0.32
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
[2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2504659
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,4-dimethoxybenzoate
CID 2436819
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2504998
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate
CID 2505113
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203537
dimethyl 2-[[2-(2,4-dimethoxybenzoyl)oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 2505044
[2-(2,5-difluoroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2503995
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2505004
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203564
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561154
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate
CID 2505093

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate (CID 2504725) is [2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate is CNC(=O)NC(=O)COC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate?
The InChIKey is KBZJOOMEZXBZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-14-13(18)15-11(16)7-21-12(17)9-5-4-8(19-2)6-10(9)20-3/h4-6H,7H2,1-3H3,(H2,14,15,16,18).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate has a molecular weight of 296.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 2504725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).