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

C32H36N4O6 — CID 10578990

IUPACN-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O
InChIInChI=1S/C32H36N4O6/c1-21(2)42-29-11-7-4-8-26(29)35-16-14-34(15-17-35)20-23(37)19-33-30(38)22-12-13-24-25(18-22)32(40)36(31(24)39)27-9-5-6-10-28(27)41-3/h4-13,18,21,23,37H,14-17,19-20H2,1-3H3,(H,33,38)
InChIKeyIDSYRZJPBIXBRS-UHFFFAOYSA-N
MW572.66 g/mol
LogP3.20
Rot. Bonds10

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

N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 10578990) has the molecular formula C32H36N4O6 and a molecular weight of 572.66 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID10578990
Molecular FormulaC32H36N4O6
Molecular Weight572.66 g/mol
Exact Mass572.26
IUPAC NameN-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O
InChIInChI=1S/C32H36N4O6/c1-21(2)42-29-11-7-4-8-26(29)35-16-14-34(15-17-35)20-23(37)19-33-30(38)22-12-13-24-25(18-22)32(40)36(31(24)39)27-9-5-6-10-28(27)41-3/h4-13,18,21,23,37H,14-17,19-20H2,1-3H3,(H,33,38)
InChIKeyIDSYRZJPBIXBRS-UHFFFAOYSA-N
XLogP3.20
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.66
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 10578990) is N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is COc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O.
What is the InChIKey of N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is IDSYRZJPBIXBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O6/c1-21(2)42-29-11-7-4-8-26(29)35-16-14-34(15-17-35)20-23(37)19-33-30(38)22-12-13-24-25(18-22)32(40)36(31(24)39)27-9-5-6-10-28(27)41-3/h4-13,18,21,23,37H,14-17,19-20H2,1-3H3,(H,33,38).
What are the key properties of N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 572.66 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 10578990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).