ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate

C14H18N2O6 — CID 108865742

IUPACethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(OC(=O)OCC)cc1
InChIInChI=1S/C14H18N2O6/c1-3-20-12(17)9-15-13(18)16-10-5-7-11(8-6-10)22-14(19)21-4-2/h5-8H,3-4,9H2,1-2H3,(H2,15,16,18)
InChIKeyLYVBOQMSOZNQGS-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.91
Rot. Bonds6

About ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate

ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate (PubChem CID 108865742) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
PubChem CID108865742
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Nameethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(OC(=O)OCC)cc1
InChIInChI=1S/C14H18N2O6/c1-3-20-12(17)9-15-13(18)16-10-5-7-11(8-6-10)22-14(19)21-4-2/h5-8H,3-4,9H2,1-2H3,(H2,15,16,18)
InChIKeyLYVBOQMSOZNQGS-UHFFFAOYSA-N
XLogP1.91
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676
ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate
CID 108865619
methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate
CID 127584836
[4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate
CID 108865603
ethyl 4-[[(4-ethoxycarbonyloxyphenyl)carbamoylamino]methyl]benzoate
CID 108865745
[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
CID 61340701
[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865660
6-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]hexanoic acid
CID 108865498
ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
CID 108865684

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate (CID 108865742) is ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1ccc(OC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate?
The InChIKey is LYVBOQMSOZNQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6/c1-3-20-12(17)9-15-13(18)16-10-5-7-11(8-6-10)22-14(19)21-4-2/h5-8H,3-4,9H2,1-2H3,(H2,15,16,18).
What are the key properties of ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate?
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate has a molecular weight of 310.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate is sourced from PubChem (CID 108865742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).