2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione

C22H19NO3 — CID 907476

IUPAC2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC[C@@H](Cc1ccccc1)c1ccco1
InChIInChI=1S/C22H19NO3/c24-21-18-9-4-5-10-19(18)22(25)23(21)13-12-17(20-11-6-14-26-20)15-16-7-2-1-3-8-16/h1-11,14,17H,12-13,15H2/t17-/m0/s1
InChIKeyWCPYZSCQVJNBCM-KRWDZBQOSA-N
MW345.40 g/mol
LogP4.29
Rot. Bonds6

About 2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione

2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione (PubChem CID 907476) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione
PubChem CID907476
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC[C@@H](Cc1ccccc1)c1ccco1
InChIInChI=1S/C22H19NO3/c24-21-18-9-4-5-10-19(18)22(25)23(21)13-12-17(20-11-6-14-26-20)15-16-7-2-1-3-8-16/h1-11,14,17H,12-13,15H2/t17-/m0/s1
InChIKeyWCPYZSCQVJNBCM-KRWDZBQOSA-N
XLogP4.29
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione (CID 907476) is 2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC[C@@H](Cc1ccccc1)c1ccco1.
What is the InChIKey of 2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione?
The InChIKey is WCPYZSCQVJNBCM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H19NO3/c24-21-18-9-4-5-10-19(18)22(25)23(21)13-12-17(20-11-6-14-26-20)15-16-7-2-1-3-8-16/h1-11,14,17H,12-13,15H2/t17-/m0/s1.
What are the key properties of 2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione?
2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione has a molecular weight of 345.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione is sourced from PubChem (CID 907476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).