[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate

C19H20N2O6 — CID 2122372

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H20N2O6/c1-25-14-9-6-10-15(26-2)17(14)18(23)27-12-16(22)21-19(24)20-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyPBBVMTRXQZNZAR-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.89
Rot. Bonds7

About [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate

[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate (PubChem CID 2122372) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
PubChem CID2122372
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H20N2O6/c1-25-14-9-6-10-15(26-2)17(14)18(23)27-12-16(22)21-19(24)20-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyPBBVMTRXQZNZAR-UHFFFAOYSA-N
XLogP1.89
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-O-[2-(benzylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506533
[2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 24683584
[2-(benzylcarbamoylamino)-2-oxoethyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate
CID 2422069
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509496
N-(benzylcarbamoyl)-2-naphthalen-1-yloxyacetamide
CID 7860175
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2564276
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592643
[2-(benzylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2335043
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55397412
[2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate
CID 171350713
[2-(benzylcarbamoylamino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 27749316
[2-(benzylcarbamoylamino)-2-oxoethyl] 3-nitrobenzoate
CID 2622462

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate (CID 2122372) is [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OCC(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The InChIKey is PBBVMTRXQZNZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-25-14-9-6-10-15(26-2)17(14)18(23)27-12-16(22)21-19(24)20-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H2,20,21,22,24).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate has a molecular weight of 372.38 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate is sourced from PubChem (CID 2122372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).