2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide

C31H34N4O6 — CID 10602912

IUPAC2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1
InChIInChI=1S/C31H34N4O6/c1-20(2)41-28-6-4-3-5-27(28)34-15-13-33(14-16-34)19-24(37)18-32-29(38)21-7-12-25-26(17-21)31(40)35(30(25)39)22-8-10-23(36)11-9-22/h3-12,17,20,24,36-37H,13-16,18-19H2,1-2H3,(H,32,38)/t24-/m0/s1
InChIKeyCCJMGYBFMJJAIY-DEOSSOPVSA-N
MW558.64 g/mol
LogP2.89
Rot. Bonds9

About 2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide

2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 10602912) has the molecular formula C31H34N4O6 and a molecular weight of 558.64 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID10602912
Molecular FormulaC31H34N4O6
Molecular Weight558.64 g/mol
Exact Mass558.25
IUPAC Name2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1
InChIInChI=1S/C31H34N4O6/c1-20(2)41-28-6-4-3-5-27(28)34-15-13-33(14-16-34)19-24(37)18-32-29(38)21-7-12-25-26(17-21)31(40)35(30(25)39)22-8-10-23(36)11-9-22/h3-12,17,20,24,36-37H,13-16,18-19H2,1-2H3,(H,32,38)/t24-/m0/s1
InChIKeyCCJMGYBFMJJAIY-DEOSSOPVSA-N
XLogP2.89
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.64
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide 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 2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide (CID 10602912) is 2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide is CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is CCJMGYBFMJJAIY-DEOSSOPVSA-N. The full InChI is InChI=1S/C31H34N4O6/c1-20(2)41-28-6-4-3-5-27(28)34-15-13-33(14-16-34)19-24(37)18-32-29(38)21-7-12-25-26(17-21)31(40)35(30(25)39)22-8-10-23(36)11-9-22/h3-12,17,20,24,36-37H,13-16,18-19H2,1-2H3,(H,32,38)/t24-/m0/s1.
What are the key properties of 2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide?
2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 558.64 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 10602912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).