ethyl [4-(methylcarbamoylamino)phenyl] carbonate

C11H14N2O4 — CID 108865616

IUPACethyl [4-(methylcarbamoylamino)phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C11H14N2O4/c1-3-16-11(15)17-9-6-4-8(5-7-9)13-10(14)12-2/h4-7H,3H2,1-2H3,(H2,12,13,14)
InChIKeyZOBXQIZUXXUULW-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.97
Rot. Bonds3

About ethyl [4-(methylcarbamoylamino)phenyl] carbonate

ethyl [4-(methylcarbamoylamino)phenyl] carbonate (PubChem CID 108865616) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl [4-(methylcarbamoylamino)phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-(methylcarbamoylamino)phenyl] carbonate
PubChem CID108865616
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl [4-(methylcarbamoylamino)phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C11H14N2O4/c1-3-16-11(15)17-9-6-4-8(5-7-9)13-10(14)12-2/h4-7H,3H2,1-2H3,(H2,12,13,14)
InChIKeyZOBXQIZUXXUULW-UHFFFAOYSA-N
XLogP1.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate
CID 108865619
ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate
CID 108865434
ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930551
ethyl 4-[[(4-ethoxycarbonyloxyphenyl)carbamoylamino]methyl]benzoate
CID 108865745
ethyl [4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl] carbonate
CID 108865631
[4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate
CID 108865603
[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
6-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]hexanoic acid
CID 108865498
ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
CID 108865684
[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865595

Frequently Asked Questions

What is the IUPAC name of ethyl [4-(methylcarbamoylamino)phenyl] carbonate?
The IUPAC name of ethyl [4-(methylcarbamoylamino)phenyl] carbonate (CID 108865616) is ethyl [4-(methylcarbamoylamino)phenyl] carbonate.
What is the SMILES notation for ethyl [4-(methylcarbamoylamino)phenyl] carbonate?
The canonical SMILES for ethyl [4-(methylcarbamoylamino)phenyl] carbonate is CCOC(=O)Oc1ccc(NC(=O)NC)cc1.
What is the InChIKey of ethyl [4-(methylcarbamoylamino)phenyl] carbonate?
The InChIKey is ZOBXQIZUXXUULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-16-11(15)17-9-6-4-8(5-7-9)13-10(14)12-2/h4-7H,3H2,1-2H3,(H2,12,13,14).
What are the key properties of ethyl [4-(methylcarbamoylamino)phenyl] carbonate?
ethyl [4-(methylcarbamoylamino)phenyl] carbonate has a molecular weight of 238.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-(methylcarbamoylamino)phenyl] carbonate is sourced from PubChem (CID 108865616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).