ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate

C22H20N2O5 — CID 108865510

IUPACethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O5/c1-2-27-22(26)29-20-14-10-17(11-15-20)24-21(25)23-16-8-12-19(13-9-16)28-18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H2,23,24,25)
InChIKeyBDRBBVGTJQLTTM-UHFFFAOYSA-N
MW392.41 g/mol
LogP5.66
Rot. Bonds6

About ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate

ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate (PubChem CID 108865510) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
PubChem CID108865510
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Nameethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O5/c1-2-27-22(26)29-20-14-10-17(11-15-20)24-21(25)23-16-8-12-19(13-9-16)28-18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H2,23,24,25)
InChIKeyBDRBBVGTJQLTTM-UHFFFAOYSA-N
XLogP5.66
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate
CID 108865434
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865660
ethyl [4-[(2-phenylsulfanylphenyl)carbamoylamino]phenyl] carbonate
CID 108865530
[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
CID 108865684
ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate
CID 108865619
ethyl [4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl] carbonate
CID 108865631
[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865595
6-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]hexanoic acid
CID 108865498
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate?
The IUPAC name of ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate (CID 108865510) is ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate?
The canonical SMILES for ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate is CCOC(=O)Oc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate?
The InChIKey is BDRBBVGTJQLTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-2-27-22(26)29-20-14-10-17(11-15-20)24-21(25)23-16-8-12-19(13-9-16)28-18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H2,23,24,25).
What are the key properties of ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate?
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate has a molecular weight of 392.41 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate is sourced from PubChem (CID 108865510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).