methyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate

C15H21N3O6 — CID 26526409

IUPACmethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate
SMILESCCNC(=O)NC(=O)CNc1cc(OC)c(OC)cc1C(=O)OC
InChIInChI=1S/C15H21N3O6/c1-5-16-15(21)18-13(19)8-17-10-7-12(23-3)11(22-2)6-9(10)14(20)24-4/h6-7,17H,5,8H2,1-4H3,(H2,16,18,19,21)
InChIKeyVYUFSTFUTKYFTG-UHFFFAOYSA-N
MW339.35 g/mol
LogP0.75
Rot. Bonds7

About methyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate

methyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate (PubChem CID 26526409) has the molecular formula C15H21N3O6 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate
PubChem CID26526409
Molecular FormulaC15H21N3O6
Molecular Weight339.35 g/mol
Exact Mass339.14
IUPAC Namemethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate
SMILESCCNC(=O)NC(=O)CNc1cc(OC)c(OC)cc1C(=O)OC
InChIInChI=1S/C15H21N3O6/c1-5-16-15(21)18-13(19)8-17-10-7-12(23-3)11(22-2)6-9(10)14(20)24-4/h6-7,17H,5,8H2,1-4H3,(H2,16,18,19,21)
InChIKeyVYUFSTFUTKYFTG-UHFFFAOYSA-N
XLogP0.75
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate
CID 9104092
methyl 2-[[2-(4-cyanoanilino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate
CID 9104203
methyl 2-(3,3-dimethylbutanoylamino)-4,5-dimethoxybenzoate
CID 2104071
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate
CID 9104065
2-(2-methoxyanilino)-N-(propylcarbamoyl)acetamide
CID 37472990
methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
CID 2808926
2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
CID 63600102
ethane;2-(ethylamino)-4,5-dimethoxybenzoic acid
CID 142222360
methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride
CID 119265007
2-[2-(difluoromethoxy)anilino]-N-(ethylcarbamoyl)acetamide
CID 26525960
methyl 4,5-dimethoxy-2-(2-methylbutanoylamino)benzoate
CID 46511325
2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 42069173

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate (CID 26526409) is methyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate is CCNC(=O)NC(=O)CNc1cc(OC)c(OC)cc1C(=O)OC.
What is the InChIKey of methyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate?
The InChIKey is VYUFSTFUTKYFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6/c1-5-16-15(21)18-13(19)8-17-10-7-12(23-3)11(22-2)6-9(10)14(20)24-4/h6-7,17H,5,8H2,1-4H3,(H2,16,18,19,21).
What are the key properties of methyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate?
methyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate has a molecular weight of 339.35 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 26526409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).