ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate

C20H22N2O6 — CID 108929821

IUPACethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCCNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C20H22N2O6/c1-2-26-20(25)28-17-10-8-15(9-11-17)19(24)22-13-12-21-18(23)14-27-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyHWNJWTJVQNGUIB-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.15
Rot. Bonds9

About ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate

ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate (PubChem CID 108929821) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate
PubChem CID108929821
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Nameethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCCNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C20H22N2O6/c1-2-26-20(25)28-17-10-8-15(9-11-17)19(24)22-13-12-21-18(23)14-27-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyHWNJWTJVQNGUIB-UHFFFAOYSA-N
XLogP2.15
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl [4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
CID 108929834
ethyl [4-[3-(4-phenoxybutanoylamino)propylcarbamoyl]phenyl] carbonate
CID 108932315
4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382
[4-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propylcarbamoyl]phenyl] ethyl carbonate
CID 108932305
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538441
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 108541991
ethyl [4-[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]propylcarbamoyl]phenyl] carbonate
CID 108932308
[4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
CID 108570522
ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108537547
4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 38611489
ethyl [4-[2-[(2-fluorobenzoyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108537531
ethyl [4-[2-[3-(2-methoxyphenyl)propanoylamino]ethylcarbamoyl]phenyl] carbonate
CID 108929853

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate?
The IUPAC name of ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate (CID 108929821) is ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate?
The canonical SMILES for ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate is CCOC(=O)Oc1ccc(C(=O)NCCNC(=O)COc2ccccc2)cc1.
What is the InChIKey of ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate?
The InChIKey is HWNJWTJVQNGUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-2-26-20(25)28-17-10-8-15(9-11-17)19(24)22-13-12-21-18(23)14-27-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate?
ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate has a molecular weight of 386.40 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate is sourced from PubChem (CID 108929821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).