N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide

C18H21F3N2O3 — CID 166416087

IUPACN-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N2CCOCC2CCC(F)(F)F)cc1
InChIInChI=1S/C18H21F3N2O3/c1-3-16(24)22(2)14-6-4-13(5-7-14)17(25)23-10-11-26-12-15(23)8-9-18(19,20)21/h3-7,15H,1,8-12H2,2H3
InChIKeyCYALABSGKTTXDJ-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.02
Rot. Bonds5

About N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide

N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide (PubChem CID 166416087) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
PubChem CID166416087
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC NameN-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N2CCOCC2CCC(F)(F)F)cc1
InChIInChI=1S/C18H21F3N2O3/c1-3-16(24)22(2)14-6-4-13(5-7-14)17(25)23-10-11-26-12-15(23)8-9-18(19,20)21/h3-7,15H,1,8-12H2,2H3
InChIKeyCYALABSGKTTXDJ-UHFFFAOYSA-N
XLogP3.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide (CID 166416087) is N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide is C=CC(=O)N(C)c1ccc(C(=O)N2CCOCC2CCC(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide?
The InChIKey is CYALABSGKTTXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c1-3-16(24)22(2)14-6-4-13(5-7-14)17(25)23-10-11-26-12-15(23)8-9-18(19,20)21/h3-7,15H,1,8-12H2,2H3.
What are the key properties of N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide?
N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide has a molecular weight of 370.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[3-(3,3,3-trifluoropropyl)morpholine-4-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166416087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).