ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate

C13H16N2O4 — CID 108865619

IUPACethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate
SMILESC=CCNC(=O)Nc1ccc(OC(=O)OCC)cc1
InChIInChI=1S/C13H16N2O4/c1-3-9-14-12(16)15-10-5-7-11(8-6-10)19-13(17)18-4-2/h3,5-8H,1,4,9H2,2H3,(H2,14,15,16)
InChIKeyPDQBMRSSZLGAGC-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.53
Rot. Bonds5

About ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate

ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate (PubChem CID 108865619) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate
PubChem CID108865619
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Nameethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate
SMILESC=CCNC(=O)Nc1ccc(OC(=O)OCC)cc1
InChIInChI=1S/C13H16N2O4/c1-3-9-14-12(16)15-10-5-7-11(8-6-10)19-13(17)18-4-2/h3,5-8H,1,4,9H2,2H3,(H2,14,15,16)
InChIKeyPDQBMRSSZLGAGC-UHFFFAOYSA-N
XLogP2.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
[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
6-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]hexanoic acid
CID 108865498
ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
CID 108865684
ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate
CID 108865434
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865660

Frequently Asked Questions

What is the IUPAC name of ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate?
The IUPAC name of ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate (CID 108865619) is ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate.
What is the SMILES notation for ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate?
The canonical SMILES for ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate is C=CCNC(=O)Nc1ccc(OC(=O)OCC)cc1.
What is the InChIKey of ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate?
The InChIKey is PDQBMRSSZLGAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-9-14-12(16)15-10-5-7-11(8-6-10)19-13(17)18-4-2/h3,5-8H,1,4,9H2,2H3,(H2,14,15,16).
What are the key properties of ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate?
ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate has a molecular weight of 264.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate is sourced from PubChem (CID 108865619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).