(E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide

C16H20F2N2O3 — CID 94822453

IUPAC(E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide
SMILESCN1CCO[C@H](CNC(=O)/C=C/c2ccccc2OC(F)F)C1
InChIInChI=1S/C16H20F2N2O3/c1-20-8-9-22-13(11-20)10-19-15(21)7-6-12-4-2-3-5-14(12)23-16(17)18/h2-7,13,16H,8-11H2,1H3,(H,19,21)/b7-6+/t13-/m1/s1
InChIKeyGAQLNJMUTMRIJS-KTRBRXNASA-N
MW326.34 g/mol
LogP1.75
Rot. Bonds6

About (E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide

(E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide (PubChem CID 94822453) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is (E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide
PubChem CID94822453
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC Name(E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide
SMILESCN1CCO[C@H](CNC(=O)/C=C/c2ccccc2OC(F)F)C1
InChIInChI=1S/C16H20F2N2O3/c1-20-8-9-22-13(11-20)10-19-15(21)7-6-12-4-2-3-5-14(12)23-16(17)18/h2-7,13,16H,8-11H2,1H3,(H,19,21)/b7-6+/t13-/m1/s1
InChIKeyGAQLNJMUTMRIJS-KTRBRXNASA-N
XLogP1.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172188
(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 895784
(2R)-2-(2-chlorophenoxy)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]propanamide
CID 94815626
3-[2-(difluoromethoxy)phenyl]-N-[4-(4-ethylpiperazin-1-yl)butyl]prop-2-enamide
CID 78871206
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
N-[(4-methylmorpholin-2-yl)methyl]-3,3-diphenylpropanamide
CID 49094292
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223
3-(2-aminophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 79079684
(E)-3-[2-(difluoromethoxy)phenyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 37152698
(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide
CID 52523158
4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide
CID 78905990
(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 39888645

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide (CID 94822453) is (E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide is CN1CCO[C@H](CNC(=O)/C=C/c2ccccc2OC(F)F)C1.
What is the InChIKey of (E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide?
The InChIKey is GAQLNJMUTMRIJS-KTRBRXNASA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-20-8-9-22-13(11-20)10-19-15(21)7-6-12-4-2-3-5-14(12)23-16(17)18/h2-7,13,16H,8-11H2,1H3,(H,19,21)/b7-6+/t13-/m1/s1.
What are the key properties of (E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide?
(E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide has a molecular weight of 326.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 94822453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).