N-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

C26H30N4O4 — CID 26352132

IUPACN-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCOCCN1C(=O)C[C@](CC(=O)NCCCn2ncc3ccccc32)(c2ccccc2C)C1=O
InChIInChI=1S/C26H30N4O4/c1-19-8-3-5-10-21(19)26(17-24(32)29(25(26)33)14-15-34-2)16-23(31)27-12-7-13-30-22-11-6-4-9-20(22)18-28-30/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyFOFOMOMTIIMDIX-AREMUKBSSA-N
MW462.55 g/mol
LogP2.58
Rot. Bonds10

About N-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

N-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (PubChem CID 26352132) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
PubChem CID26352132
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCOCCN1C(=O)C[C@](CC(=O)NCCCn2ncc3ccccc32)(c2ccccc2C)C1=O
InChIInChI=1S/C26H30N4O4/c1-19-8-3-5-10-21(19)26(17-24(32)29(25(26)33)14-15-34-2)16-23(31)27-12-7-13-30-22-11-6-4-9-20(22)18-28-30/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyFOFOMOMTIIMDIX-AREMUKBSSA-N
XLogP2.58
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-[(3S)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 42479262
2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide
CID 45239840
2-[(3S)-1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 42168387
N-[3-(benzotriazol-1-yl)propyl]-2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetamide
CID 42454984
2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 45206761
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 26281389
1-(2-methoxyethyl)-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 118755128
2-[(3R)-1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
CID 42170194
N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
CID 131934698
2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 136663278
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 131914311
(3S)-3-[2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42479638

Frequently Asked Questions

What is the IUPAC name of N-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (CID 26352132) is N-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is COCCN1C(=O)C[C@](CC(=O)NCCCn2ncc3ccccc32)(c2ccccc2C)C1=O.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The InChIKey is FOFOMOMTIIMDIX-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-19-8-3-5-10-21(19)26(17-24(32)29(25(26)33)14-15-34-2)16-23(31)27-12-7-13-30-22-11-6-4-9-20(22)18-28-30/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,27,31)/t26-/m1/s1.
What are the key properties of N-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
N-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide has a molecular weight of 462.55 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indazol-1-ylpropyl)-2-[(3R)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 26352132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).