prop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate

C20H22FNO4 — CID 21337192

IUPACprop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate
SMILESC=CCOC(=O)NOC(C)c1ccc(OCc2ccc(C)cc2)cc1F
InChIInChI=1S/C20H22FNO4/c1-4-11-24-20(23)22-26-15(3)18-10-9-17(12-19(18)21)25-13-16-7-5-14(2)6-8-16/h4-10,12,15H,1,11,13H2,2-3H3,(H,22,23)
InChIKeyRDAVPVCOLBGHOZ-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.62
Rot. Bonds8

About prop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate

prop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate (PubChem CID 21337192) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is prop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate
PubChem CID21337192
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Nameprop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate
SMILESC=CCOC(=O)NOC(C)c1ccc(OCc2ccc(C)cc2)cc1F
InChIInChI=1S/C20H22FNO4/c1-4-11-24-20(23)22-26-15(3)18-10-9-17(12-19(18)21)25-13-16-7-5-14(2)6-8-16/h4-10,12,15H,1,11,13H2,2-3H3,(H,22,23)
InChIKeyRDAVPVCOLBGHOZ-UHFFFAOYSA-N
XLogP4.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate?
The IUPAC name of prop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate (CID 21337192) is prop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate.
What is the SMILES notation for prop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate?
The canonical SMILES for prop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate is C=CCOC(=O)NOC(C)c1ccc(OCc2ccc(C)cc2)cc1F.
What is the InChIKey of prop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate?
The InChIKey is RDAVPVCOLBGHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-4-11-24-20(23)22-26-15(3)18-10-9-17(12-19(18)21)25-13-16-7-5-14(2)6-8-16/h4-10,12,15H,1,11,13H2,2-3H3,(H,22,23).
What are the key properties of prop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate?
prop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate has a molecular weight of 359.40 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethoxy]carbamate is sourced from PubChem (CID 21337192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).