N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide

C24H28FN3O2 — CID 59883068

IUPACN'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide
SMILESC/C(N)=N\CC/C=C(\F)CC1C(=O)OC(c2ccccc2)C(c2ccccc2)N1C
InChIInChI=1S/C24H28FN3O2/c1-17(26)27-15-9-14-20(25)16-21-24(29)30-23(19-12-7-4-8-13-19)22(28(21)2)18-10-5-3-6-11-18/h3-8,10-14,21-23H,9,15-16H2,1-2H3,(H2,26,27)/b20-14-
InChIKeyXMQNPZXXWFGVMH-ZHZULCJRSA-N
MW409.51 g/mol
LogP4.34
Rot. Bonds7

About N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide

N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide (PubChem CID 59883068) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide
PubChem CID59883068
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC NameN'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide
SMILESC/C(N)=N\CC/C=C(\F)CC1C(=O)OC(c2ccccc2)C(c2ccccc2)N1C
InChIInChI=1S/C24H28FN3O2/c1-17(26)27-15-9-14-20(25)16-21-24(29)30-23(19-12-7-4-8-13-19)22(28(21)2)18-10-5-3-6-11-18/h3-8,10-14,21-23H,9,15-16H2,1-2H3,(H2,26,27)/b20-14-
InChIKeyXMQNPZXXWFGVMH-ZHZULCJRSA-N
XLogP4.34
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide 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

3-(5-amino-2-fluoropent-2-enyl)-4-methyl-5,6-diphenylmorpholin-2-one;3-(2-fluorohex-2-enyl)-4-methyl-5,6-diphenylmorpholin-2-one;N'-[4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide
CID 91023767
(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one
CID 167005616
(3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one
CID 10851005
ditert-butyl 2-[[(3S,5S,6R)-2-oxo-5,6-diphenyl-4-phenylmethoxycarbonylmorpholin-3-yl]methyl]propanedioate
CID 10875824
tert-butyl (3S,5S,6R)-3-but-3-enyl-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 10454077
benzyl (3S,5S,6R)-3-(dimethoxymethyl)-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 11202040
benzyl (3R,5R,6S)-3-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 15513782
benzyl (3S,5S,6R)-3-(4-iodobutyl)-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 11365118
(5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one
CID 54194620
(3R,4R,5S)-3,4-dimethyl-5-phenyloxolan-2-one
CID 101000241
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
(3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one
CID 130977904

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide?
The IUPAC name of N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide (CID 59883068) is N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide is C/C(N)=N\CC/C=C(\F)CC1C(=O)OC(c2ccccc2)C(c2ccccc2)N1C.
What is the InChIKey of N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide?
The InChIKey is XMQNPZXXWFGVMH-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-17(26)27-15-9-14-20(25)16-21-24(29)30-23(19-12-7-4-8-13-19)22(28(21)2)18-10-5-3-6-11-18/h3-8,10-14,21-23H,9,15-16H2,1-2H3,(H2,26,27)/b20-14-.
What are the key properties of N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide?
N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide has a molecular weight of 409.51 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide is sourced from PubChem (CID 59883068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).