3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one

C25H25NO3 — CID 154712691

IUPAC3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one
SMILESCN1C(=O)C(Cc2ccccc2)(OOC(C)(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H25NO3/c1-24(2,20-14-8-5-9-15-20)28-29-25(18-19-12-6-4-7-13-19)21-16-10-11-17-22(21)26(3)23(25)27/h4-17H,18H2,1-3H3
InChIKeyLHDYRZNIKKDPBA-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.98
Rot. Bonds6

About 3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one

3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one (PubChem CID 154712691) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one.

Molecular Properties

Compound Name3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one
PubChem CID154712691
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one
SMILESCN1C(=O)C(Cc2ccccc2)(OOC(C)(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H25NO3/c1-24(2,20-14-8-5-9-15-20)28-29-25(18-19-12-6-4-7-13-19)21-16-10-11-17-22(21)26(3)23(25)27/h4-17H,18H2,1-3H3
InChIKeyLHDYRZNIKKDPBA-UHFFFAOYSA-N
XLogP4.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 56861384
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 95532207
2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide
CID 95543110
3-benzyl-3-hydroperoxy-1-methylindol-2-imine
CID 3795856
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide
CID 95502531
3-chloro-1-methyl-3-(trichloromethyl)indol-2-one
CID 121215854
methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate
CID 56871088
benzyl N-[(3R)-1-benzyl-2-oxo-3-(2-phenylpropan-2-ylperoxy)indol-3-yl]carbamate
CID 122363442
2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide
CID 56861665
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-methoxyethyl)acetamide
CID 95551779
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one?
The IUPAC name of 3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one (CID 154712691) is 3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one.
What is the SMILES notation for 3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one?
The canonical SMILES for 3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one is CN1C(=O)C(Cc2ccccc2)(OOC(C)(C)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one?
The InChIKey is LHDYRZNIKKDPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-24(2,20-14-8-5-9-15-20)28-29-25(18-19-12-6-4-7-13-19)21-16-10-11-17-22(21)26(3)23(25)27/h4-17H,18H2,1-3H3.
What are the key properties of 3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one?
3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one has a molecular weight of 387.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one is sourced from PubChem (CID 154712691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).