2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one

C28H26N2O2 — CID 92688562

IUPAC2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one
SMILESO=C([C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C28H26N2O2/c31-27-25-14-8-7-13-24(25)20-30(27)26(19-21-9-3-1-4-10-21)28(32)29-17-15-23(16-18-29)22-11-5-2-6-12-22/h1-15,26H,16-20H2/t26-/m1/s1
InChIKeyCYCLXWORNDPFCR-AREMUKBSSA-N
MW422.53 g/mol
LogP4.57
Rot. Bonds5

About 2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one

2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one (PubChem CID 92688562) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one
PubChem CID92688562
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one
SMILESO=C([C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C28H26N2O2/c31-27-25-14-8-7-13-24(25)20-30(27)26(19-21-9-3-1-4-10-21)28(32)29-17-15-23(16-18-29)22-11-5-2-6-12-22/h1-15,26H,16-20H2/t26-/m1/s1
InChIKeyCYCLXWORNDPFCR-AREMUKBSSA-N
XLogP4.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one?
The IUPAC name of 2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one (CID 92688562) is 2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one is O=C([C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one?
The InChIKey is CYCLXWORNDPFCR-AREMUKBSSA-N. The full InChI is InChI=1S/C28H26N2O2/c31-27-25-14-8-7-13-24(25)20-30(27)26(19-21-9-3-1-4-10-21)28(32)29-17-15-23(16-18-29)22-11-5-2-6-12-22/h1-15,26H,16-20H2/t26-/m1/s1.
What are the key properties of 2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one?
2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one has a molecular weight of 422.53 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one is sourced from PubChem (CID 92688562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).