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

C22H25FN2O2 — CID 47900188

IUPAC(E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide
SMILESCC1CN(Cc2cccc(CNC(=O)/C=C/c3cccc(F)c3)c2)CCO1
InChIInChI=1S/C22H25FN2O2/c1-17-15-25(10-11-27-17)16-20-6-2-5-19(12-20)14-24-22(26)9-8-18-4-3-7-21(23)13-18/h2-9,12-13,17H,10-11,14-16H2,1H3,(H,24,26)/b9-8+
InChIKeyOGHBYTKLXIUIFX-CMDGGOBGSA-N
MW368.45 g/mol
LogP3.38
Rot. Bonds6

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

(E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide (PubChem CID 47900188) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide
PubChem CID47900188
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name(E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide
SMILESCC1CN(Cc2cccc(CNC(=O)/C=C/c3cccc(F)c3)c2)CCO1
InChIInChI=1S/C22H25FN2O2/c1-17-15-25(10-11-27-17)16-20-6-2-5-19(12-20)14-24-22(26)9-8-18-4-3-7-21(23)13-18/h2-9,12-13,17H,10-11,14-16H2,1H3,(H,24,26)/b9-8+
InChIKeyOGHBYTKLXIUIFX-CMDGGOBGSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pent-2-enamide
CID 72689925
(Z)-2-methyl-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]pent-2-enamide
CID 94820446
1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
CID 52502638
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-[(3-methylphenyl)methyl]guanidine
CID 111900889
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119864301
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
3-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 84761715
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
(4R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 98798763
2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide
CID 47900404

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide (CID 47900188) is (E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide is CC1CN(Cc2cccc(CNC(=O)/C=C/c3cccc(F)c3)c2)CCO1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide?
The InChIKey is OGHBYTKLXIUIFX-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-17-15-25(10-11-27-17)16-20-6-2-5-19(12-20)14-24-22(26)9-8-18-4-3-7-21(23)13-18/h2-9,12-13,17H,10-11,14-16H2,1H3,(H,24,26)/b9-8+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide has a molecular weight of 368.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 47900188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).