[(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate

C18H23FN2O4 — CID 175201850

IUPAC[(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate
SMILESNC(=O)OC/C(=C/F)COc1ccc(C2(C(N)=O)CCCCC2)cc1
InChIInChI=1S/C18H23FN2O4/c19-10-13(12-25-17(21)23)11-24-15-6-4-14(5-7-15)18(16(20)22)8-2-1-3-9-18/h4-7,10H,1-3,8-9,11-12H2,(H2,20,22)(H2,21,23)/b13-10+
InChIKeyRBXIVCODQLZKPT-JLHYYAGUSA-N
MW350.39 g/mol
LogP2.70
Rot. Bonds7

About [(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate

[(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate (PubChem CID 175201850) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is [(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate.

Molecular Properties

Compound Name[(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate
PubChem CID175201850
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name[(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate
SMILESNC(=O)OC/C(=C/F)COc1ccc(C2(C(N)=O)CCCCC2)cc1
InChIInChI=1S/C18H23FN2O4/c19-10-13(12-25-17(21)23)11-24-15-6-4-14(5-7-15)18(16(20)22)8-2-1-3-9-18/h4-7,10H,1-3,8-9,11-12H2,(H2,20,22)(H2,21,23)/b13-10+
InChIKeyRBXIVCODQLZKPT-JLHYYAGUSA-N
XLogP2.70
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate?
The IUPAC name of [(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate (CID 175201850) is [(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate.
What is the SMILES notation for [(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate?
The canonical SMILES for [(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate is NC(=O)OC/C(=C/F)COc1ccc(C2(C(N)=O)CCCCC2)cc1.
What is the InChIKey of [(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate?
The InChIKey is RBXIVCODQLZKPT-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H23FN2O4/c19-10-13(12-25-17(21)23)11-24-15-6-4-14(5-7-15)18(16(20)22)8-2-1-3-9-18/h4-7,10H,1-3,8-9,11-12H2,(H2,20,22)(H2,21,23)/b13-10+.
What are the key properties of [(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate?
[(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate has a molecular weight of 350.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[[4-(1-carbamoylcyclohexyl)phenoxy]methyl]-3-fluoroprop-2-enyl] carbamate is sourced from PubChem (CID 175201850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).