prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate

C19H18F3NO3 — CID 141148449

IUPACprop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
SMILESC=CCOC(=O)N(C)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H18F3NO3/c1-3-11-25-18(24)23(2)16-7-9-17(10-8-16)26-13-14-5-4-6-15(12-14)19(20,21)22/h3-10,12H,1,11,13H2,2H3
InChIKeyFNGUVNRXVZAPPN-UHFFFAOYSA-N
MW365.35 g/mol
LogP5.04
Rot. Bonds6

About prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate

prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate (PubChem CID 141148449) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
PubChem CID141148449
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Nameprop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
SMILESC=CCOC(=O)N(C)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H18F3NO3/c1-3-11-25-18(24)23(2)16-7-9-17(10-8-16)26-13-14-5-4-6-15(12-14)19(20,21)22/h3-10,12H,1,11,13H2,2H3
InChIKeyFNGUVNRXVZAPPN-UHFFFAOYSA-N
XLogP5.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.35
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
[3-(trifluoromethyl)phenyl]methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510899
N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112828000
(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one
CID 59967532
2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide
CID 166625545
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
CID 15059584
(2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide
CID 10738662
3-[[3-(trifluoromethyl)phenyl]methoxy]benzenecarbothioamide
CID 29016770
2-methyl-3-(methylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide;hydrochloride
CID 119773685
prop-2-enyl (E)-2-cyano-3-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-enoate
CID 43012175

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate?
The IUPAC name of prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate (CID 141148449) is prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate.
What is the SMILES notation for prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate?
The canonical SMILES for prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate is C=CCOC(=O)N(C)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate?
The InChIKey is FNGUVNRXVZAPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-3-11-25-18(24)23(2)16-7-9-17(10-8-16)26-13-14-5-4-6-15(12-14)19(20,21)22/h3-10,12H,1,11,13H2,2H3.
What are the key properties of prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate?
prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate has a molecular weight of 365.35 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate is sourced from PubChem (CID 141148449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).