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

C69H79F3N6O6 — CID 91023767

IUPAC3-(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
SMILESC/C(N)=N\CCC=C(F)CC1C(=O)OC(c2ccccc2)C(c2ccccc2)N1C.CCCC=C(F)CC1C(=O)OC(c2ccccc2)C(c2ccccc2)N1C.CN1C(CC(F)=CCCN)C(=O)OC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H28FN3O2.C23H26FNO2.C22H25FN2O2/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;1-3-4-15-19(24)16-20-23(26)27-22(18-13-9-6-10-14-18)21(25(20)2)17-11-7-5-8-12-17;1-25-19(15-18(23)13-8-14-24)22(26)27-21(17-11-6-3-7-12-17)20(25)16-9-4-2-5-10-16/h3-8,10-14,21-23H,9,15-16H2,1-2H3,(H2,26,27);5-15,20-22H,3-4,16H2,1-2H3;2-7,9-13,19-21H,8,14-15,24H2,1H3
InChIKeyDJOPZPIEODGMFC-UHFFFAOYSA-N
MW1145.42 g/mol
LogP13.63
Rot. Bonds19

About 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

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 (PubChem CID 91023767) has the molecular formula C69H79F3N6O6 and a molecular weight of 1145.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID91023767
Molecular FormulaC69H79F3N6O6
Molecular Weight1145.42 g/mol
Exact Mass1144.60
IUPAC Name3-(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
SMILESC/C(N)=N\CCC=C(F)CC1C(=O)OC(c2ccccc2)C(c2ccccc2)N1C.CCCC=C(F)CC1C(=O)OC(c2ccccc2)C(c2ccccc2)N1C.CN1C(CC(F)=CCCN)C(=O)OC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H28FN3O2.C23H26FNO2.C22H25FN2O2/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;1-3-4-15-19(24)16-20-23(26)27-22(18-13-9-6-10-14-18)21(25(20)2)17-11-7-5-8-12-17;1-25-19(15-18(23)13-8-14-24)22(26)27-21(17-11-6-3-7-12-17)20(25)16-9-4-2-5-10-16/h3-8,10-14,21-23H,9,15-16H2,1-2H3,(H2,26,27);5-15,20-22H,3-4,16H2,1-2H3;2-7,9-13,19-21H,8,14-15,24H2,1H3
InChIKeyDJOPZPIEODGMFC-UHFFFAOYSA-N
XLogP13.63
TPSA153.02 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001145.42
LogP ≤ 513.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide
CID 59883068
(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
(4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10686826
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
(1R,2R,4S,5S,6S,8R)-3-methyl-2,4,6,8-tetraphenyl-3-azabicyclo[3.3.1]nonan-9-one
CID 98127168
4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one
CID 19370117
benzyl (3S,5S,6R)-3-(4-iodobutyl)-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 11365118
(4S,5R)-1-buta-2,3-dien-2-yl-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 12061801

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(N)=N\CCC=C(F)CC1C(=O)OC(c2ccccc2)C(c2ccccc2)N1C.CCCC=C(F)CC1C(=O)OC(c2ccccc2)C(c2ccccc2)N1C.CN1C(CC(F)=CCCN)C(=O)OC(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 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?
The InChIKey is DJOPZPIEODGMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2.C23H26FNO2.C22H25FN2O2/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;1-3-4-15-19(24)16-20-23(26)27-22(18-13-9-6-10-14-18)21(25(20)2)17-11-7-5-8-12-17;1-25-19(15-18(23)13-8-14-24)22(26)27-21(17-11-6-3-7-12-17)20(25)16-9-4-2-5-10-16/h3-8,10-14,21-23H,9,15-16H2,1-2H3,(H2,26,27);5-15,20-22H,3-4,16H2,1-2H3;2-7,9-13,19-21H,8,14-15,24H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1145.42 g/mol, XLogP of 13.63, 19 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91023767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).