(2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide

C24H23F3N4O5 — CID 58181407

IUPAC(2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide
SMILESC=C(N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)C(=O)N(CC(F)(F)F)C4)C2=O)cc1
InChIInChI=1S/C24H23F3N4O5/c1-13(28)14-2-5-16(6-3-14)29-21(33)19(32)20-23(35)31(8-9-36-20)17-7-4-15-11-30(12-24(25,26)27)22(34)18(15)10-17/h2-7,10,19-20,32H,1,8-9,11-12,28H2,(H,29,33)/t19-,20-/m1/s1
InChIKeyXVZQXDSJTKIKFH-WOJBJXKFSA-N
MW504.47 g/mol
LogP1.87
Rot. Bonds6

About (2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide

(2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide (PubChem CID 58181407) has the molecular formula C24H23F3N4O5 and a molecular weight of 504.47 g/mol. Its IUPAC name is (2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide
PubChem CID58181407
Molecular FormulaC24H23F3N4O5
Molecular Weight504.47 g/mol
Exact Mass504.16
IUPAC Name(2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide
SMILESC=C(N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)C(=O)N(CC(F)(F)F)C4)C2=O)cc1
InChIInChI=1S/C24H23F3N4O5/c1-13(28)14-2-5-16(6-3-14)29-21(33)19(32)20-23(35)31(8-9-36-20)17-7-4-15-11-30(12-24(25,26)27)22(34)18(15)10-17/h2-7,10,19-20,32H,1,8-9,11-12,28H2,(H,29,33)/t19-,20-/m1/s1
InChIKeyXVZQXDSJTKIKFH-WOJBJXKFSA-N
XLogP1.87
TPSA125.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.47
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide?
The IUPAC name of (2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide (CID 58181407) is (2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide.
What is the SMILES notation for (2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide?
The canonical SMILES for (2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide is C=C(N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)C(=O)N(CC(F)(F)F)C4)C2=O)cc1.
What is the InChIKey of (2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide?
The InChIKey is XVZQXDSJTKIKFH-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H23F3N4O5/c1-13(28)14-2-5-16(6-3-14)29-21(33)19(32)20-23(35)31(8-9-36-20)17-7-4-15-11-30(12-24(25,26)27)22(34)18(15)10-17/h2-7,10,19-20,32H,1,8-9,11-12,28H2,(H,29,33)/t19-,20-/m1/s1.
What are the key properties of (2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide?
(2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide has a molecular weight of 504.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide is sourced from PubChem (CID 58181407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).