[2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate

C12H14N2O5 — CID 2521893

IUPAC[2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NC(N)=O)cc1
InChIInChI=1S/C12H14N2O5/c1-2-18-9-5-3-8(4-6-9)11(16)19-7-10(15)14-12(13)17/h3-6H,2,7H2,1H3,(H3,13,14,15,17)
InChIKeyCEMYYVJRHDQVAC-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.44
Rot. Bonds5

About [2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate

[2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate (PubChem CID 2521893) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate
PubChem CID2521893
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NC(N)=O)cc1
InChIInChI=1S/C12H14N2O5/c1-2-18-9-5-3-8(4-6-9)11(16)19-7-10(15)14-12(13)17/h3-6H,2,7H2,1H3,(H3,13,14,15,17)
InChIKeyCEMYYVJRHDQVAC-UHFFFAOYSA-N
XLogP0.44
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61322799
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2645754
[2-(carbamoylamino)-2-oxoethyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 7567179
[2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627221
[2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate
CID 2469650
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
CID 33106855
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 2521886
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2521866
[2-(carbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 2535390
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate (CID 2521893) is [2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)NC(N)=O)cc1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate?
The InChIKey is CEMYYVJRHDQVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-2-18-9-5-3-8(4-6-9)11(16)19-7-10(15)14-12(13)17/h3-6H,2,7H2,1H3,(H3,13,14,15,17).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate?
[2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate has a molecular weight of 266.25 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate is sourced from PubChem (CID 2521893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).