(3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one

C20H24N2O3 — CID 86308537

IUPAC(3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one
SMILESCC(C)NC[C@@H](O)CO[C@@H]1c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-14(2)21-12-16(23)13-25-20-18-11-7-6-10-17(18)19(24)22(20)15-8-4-3-5-9-15/h3-11,14,16,20-21,23H,12-13H2,1-2H3/t16-,20-/m1/s1
InChIKeyKUHVZVZAYMLXGA-OXQOHEQNSA-N
MW340.42 g/mol
LogP2.72
Rot. Bonds7

About (3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one

(3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one (PubChem CID 86308537) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one
PubChem CID86308537
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one
SMILESCC(C)NC[C@@H](O)CO[C@@H]1c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-14(2)21-12-16(23)13-25-20-18-11-7-6-10-17(18)19(24)22(20)15-8-4-3-5-9-15/h3-11,14,16,20-21,23H,12-13H2,1-2H3/t16-,20-/m1/s1
InChIKeyKUHVZVZAYMLXGA-OXQOHEQNSA-N
XLogP2.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one?
The IUPAC name of (3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one (CID 86308537) is (3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one.
What is the SMILES notation for (3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one?
The canonical SMILES for (3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one is CC(C)NC[C@@H](O)CO[C@@H]1c2ccccc2C(=O)N1c1ccccc1.
What is the InChIKey of (3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one?
The InChIKey is KUHVZVZAYMLXGA-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)21-12-16(23)13-25-20-18-11-7-6-10-17(18)19(24)22(20)15-8-4-3-5-9-15/h3-11,14,16,20-21,23H,12-13H2,1-2H3/t16-,20-/m1/s1.
What are the key properties of (3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one?
(3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one has a molecular weight of 340.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one is sourced from PubChem (CID 86308537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).