N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide

C34H30N4O5 — CID 1339741

IUPACN-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide
SMILESO=C(NCCN1Cc2ccccc2C1=O)c1ccc(Oc2ccc(C(=O)NCCN3Cc4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C34H30N4O5/c39-31(35-17-19-37-21-25-5-1-3-7-29(25)33(37)41)23-9-13-27(14-10-23)43-28-15-11-24(12-16-28)32(40)36-18-20-38-22-26-6-2-4-8-30(26)34(38)42/h1-16H,17-22H2,(H,35,39)(H,36,40)
InChIKeyDVBNOBVRBJGWKN-UHFFFAOYSA-N
MW574.64 g/mol
LogP4.25
Rot. Bonds10

About N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide

N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide (PubChem CID 1339741) has the molecular formula C34H30N4O5 and a molecular weight of 574.64 g/mol. Its IUPAC name is N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound NameN-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide
PubChem CID1339741
Molecular FormulaC34H30N4O5
Molecular Weight574.64 g/mol
Exact Mass574.22
IUPAC NameN-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide
SMILESO=C(NCCN1Cc2ccccc2C1=O)c1ccc(Oc2ccc(C(=O)NCCN3Cc4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C34H30N4O5/c39-31(35-17-19-37-21-25-5-1-3-7-29(25)33(37)41)23-9-13-27(14-10-23)43-28-15-11-24(12-16-28)32(40)36-18-20-38-22-26-6-2-4-8-30(26)34(38)42/h1-16H,17-22H2,(H,35,39)(H,36,40)
InChIKeyDVBNOBVRBJGWKN-UHFFFAOYSA-N
XLogP4.25
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.64
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide?
The IUPAC name of N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide (CID 1339741) is N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide is O=C(NCCN1Cc2ccccc2C1=O)c1ccc(Oc2ccc(C(=O)NCCN3Cc4ccccc4C3=O)cc2)cc1.
What is the InChIKey of N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide?
The InChIKey is DVBNOBVRBJGWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O5/c39-31(35-17-19-37-21-25-5-1-3-7-29(25)33(37)41)23-9-13-27(14-10-23)43-28-15-11-24(12-16-28)32(40)36-18-20-38-22-26-6-2-4-8-30(26)34(38)42/h1-16H,17-22H2,(H,35,39)(H,36,40).
What are the key properties of N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide?
N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide has a molecular weight of 574.64 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-4-[4-[2-(3-oxo-1H-isoindol-2-yl)ethylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 1339741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).