[(E)-3-phenylprop-2-enyl] N-phenylcarbamate

C16H15NO2 — CID 5370774

IUPAC[(E)-3-phenylprop-2-enyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC/C=C/c1ccccc1
InChIInChI=1S/C16H15NO2/c18-16(17-15-11-5-2-6-12-15)19-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2,(H,17,18)/b10-7+
InChIKeyDXODDGVNDLOMLO-JXMROGBWSA-N
MW253.30 g/mol
LogP3.95
Rot. Bonds4

About [(E)-3-phenylprop-2-enyl] N-phenylcarbamate

[(E)-3-phenylprop-2-enyl] N-phenylcarbamate (PubChem CID 5370774) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] N-phenylcarbamate
PubChem CID5370774
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name[(E)-3-phenylprop-2-enyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC/C=C/c1ccccc1
InChIInChI=1S/C16H15NO2/c18-16(17-15-11-5-2-6-12-15)19-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2,(H,17,18)/b10-7+
InChIKeyDXODDGVNDLOMLO-JXMROGBWSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] N-phenylcarbamate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] N-phenylcarbamate (CID 5370774) is [(E)-3-phenylprop-2-enyl] N-phenylcarbamate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] N-phenylcarbamate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] N-phenylcarbamate is O=C(Nc1ccccc1)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] N-phenylcarbamate?
The InChIKey is DXODDGVNDLOMLO-JXMROGBWSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(17-15-11-5-2-6-12-15)19-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2,(H,17,18)/b10-7+.
What are the key properties of [(E)-3-phenylprop-2-enyl] N-phenylcarbamate?
[(E)-3-phenylprop-2-enyl] N-phenylcarbamate has a molecular weight of 253.30 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] N-phenylcarbamate is sourced from PubChem (CID 5370774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).