ethyl N-(4-phenoxyphenyl)carbamate

C15H15NO3 — CID 898756

IUPACethyl N-(4-phenoxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15NO3/c1-2-18-15(17)16-12-8-10-14(11-9-12)19-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,16,17)
InChIKeyODAFQHLBTUHDCQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP4.05
Rot. Bonds4

About ethyl N-(4-phenoxyphenyl)carbamate

ethyl N-(4-phenoxyphenyl)carbamate (PubChem CID 898756) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl N-(4-phenoxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-phenoxyphenyl)carbamate
PubChem CID898756
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl N-(4-phenoxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15NO3/c1-2-18-15(17)16-12-8-10-14(11-9-12)19-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,16,17)
InChIKeyODAFQHLBTUHDCQ-UHFFFAOYSA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-phenoxyphenyl)carbamate?
The IUPAC name of ethyl N-(4-phenoxyphenyl)carbamate (CID 898756) is ethyl N-(4-phenoxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(4-phenoxyphenyl)carbamate?
The canonical SMILES for ethyl N-(4-phenoxyphenyl)carbamate is CCOC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl N-(4-phenoxyphenyl)carbamate?
The InChIKey is ODAFQHLBTUHDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-18-15(17)16-12-8-10-14(11-9-12)19-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,16,17).
What are the key properties of ethyl N-(4-phenoxyphenyl)carbamate?
ethyl N-(4-phenoxyphenyl)carbamate has a molecular weight of 257.29 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-phenoxyphenyl)carbamate is sourced from PubChem (CID 898756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).