(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide

C34H32N2O4 — CID 2394811

About (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide (PubChem CID 2394811) has the molecular formula C34H32N2O4 and a molecular weight of 532.64 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide
• PubChem CID: 2394811
• Molecular Formula: C34H32N2O4
• Molecular Weight: 532.64 g/mol
• Exact Mass: 532.24
• IUPAC Name: (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide
• SMILES: CCC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2)cc1
• InChI: InChI=1S/C34H32N2O4/c1-4-34(2,3)24-14-18-26(19-15-24)40-27-20-16-25(17-21-27)35-31(37)30(22-23-10-6-5-7-11-23)36-32(38)28-12-8-9-13-29(28)33(36)39/h5-21,30H,4,22H2,1-3H3,(H,35,37)/t30-/m1/s1
• InChIKey: HOZRKHPJOSSREJ-SSEXGKCCSA-N
• XLogP: 7.01
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.64
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide?

The IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide (CID 2394811) is (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide.

What is the SMILES notation for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide?

The canonical SMILES for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide is CCC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2)cc1.

What is the InChIKey of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide?

The InChIKey is HOZRKHPJOSSREJ-SSEXGKCCSA-N. The full InChI is InChI=1S/C34H32N2O4/c1-4-34(2,3)24-14-18-26(19-15-24)40-27-20-16-25(17-21-27)35-31(37)30(22-23-10-6-5-7-11-23)36-32(38)28-12-8-9-13-29(28)33(36)39/h5-21,30H,4,22H2,1-3H3,(H,35,37)/t30-/m1/s1.

What are the key properties of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide?

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide has a molecular weight of 532.64 g/mol, XLogP of 7.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 2394811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).