(2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate

C13H15NO6 — CID 56677146

IUPAC(2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate
SMILESCCOC(=O)CNC(=O)OCOC(=O)c1ccccc1
InChIInChI=1S/C13H15NO6/c1-2-18-11(15)8-14-13(17)20-9-19-12(16)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,17)
InChIKeyLCRFMSUMNGSJCF-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.09
Rot. Bonds6

About (2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate

(2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate (PubChem CID 56677146) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate
PubChem CID56677146
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name(2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate
SMILESCCOC(=O)CNC(=O)OCOC(=O)c1ccccc1
InChIInChI=1S/C13H15NO6/c1-2-18-11(15)8-14-13(17)20-9-19-12(16)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,17)
InChIKeyLCRFMSUMNGSJCF-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(1-phenylethenylamino)acetate
CID 142204564
CID 158970570
CID 158970570
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
chloroethane;ethyl benzoate
CID 91175503
ethyl benzoate;toluene
CID 23150750
ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate
CID 4270908
ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate
CID 47257628
1,1,1,2,2,3,3,4,4,4-decafluorobutane;ethyl benzoate
CID 175158553
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
benzyl benzoate;ethyl 3-oxobutanoate
CID 174984121
ethyl 2-[[(E)-1-methylsulfanyl-3-oxo-3-phenylprop-1-enyl]amino]acetate
CID 134923099
ethyl benzoate;phthalic acid
CID 159584831

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate?
The IUPAC name of (2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate (CID 56677146) is (2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate?
The canonical SMILES for (2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate is CCOC(=O)CNC(=O)OCOC(=O)c1ccccc1.
What is the InChIKey of (2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate?
The InChIKey is LCRFMSUMNGSJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c1-2-18-11(15)8-14-13(17)20-9-19-12(16)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,17).
What are the key properties of (2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate?
(2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate has a molecular weight of 281.26 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate is sourced from PubChem (CID 56677146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).