4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide

C34H31N3O2 — CID 4031498

IUPAC4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccccc1)N1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C34H31N3O2/c1-22(2)21-29(33(38)35-24-15-7-4-8-16-24)37-32(25-17-9-10-18-26(25)34(37)39)30-27-19-11-12-20-28(27)36-31(30)23-13-5-3-6-14-23/h3-20,22,29,32,36H,21H2,1-2H3,(H,35,38)
InChIKeyFMCRNOHXXWCNSJ-UHFFFAOYSA-N
MW513.64 g/mol
LogP7.43
Rot. Bonds7

About 4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide

4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide (PubChem CID 4031498) has the molecular formula C34H31N3O2 and a molecular weight of 513.64 g/mol. Its IUPAC name is 4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide.

Molecular Properties

Compound Name4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide
PubChem CID4031498
Molecular FormulaC34H31N3O2
Molecular Weight513.64 g/mol
Exact Mass513.24
IUPAC Name4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccccc1)N1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C34H31N3O2/c1-22(2)21-29(33(38)35-24-15-7-4-8-16-24)37-32(25-17-9-10-18-26(25)34(37)39)30-27-19-11-12-20-28(27)36-31(30)23-13-5-3-6-14-23/h3-20,22,29,32,36H,21H2,1-2H3,(H,35,38)
InChIKeyFMCRNOHXXWCNSJ-UHFFFAOYSA-N
XLogP7.43
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide
CID 5211899
5-chloro-1-methyl-N'-[4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]pentanoyl]indole-2-carbohydrazide
CID 3476754
N'-acetyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanehydrazide
CID 3626111
(3S)-2-[(1R)-1-phenylethyl]-3-(2-phenyl-1H-indol-3-yl)-3H-isoindol-1-one
CID 41031652
4-methyl-N-(3-methylbutyl)-2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide
CID 4590908
ethyl 4-[[4-methyl-2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]pentanoyl]amino]piperidine-1-carboxylate
CID 4289506
2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3-[2-(4-methylphenyl)-1H-indol-3-yl]-3H-isoindol-1-one
CID 4272688
N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide
CID 4664818
4-methyl-2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N-(3-morpholin-4-ylpropyl)pentanamide
CID 5182161
N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide
CID 3900384
(2R)-2-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanoic acid
CID 7356870
(2R)-N-benzyl-2-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide
CID 40932140

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide?
The IUPAC name of 4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide (CID 4031498) is 4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide.
What is the SMILES notation for 4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide?
The canonical SMILES for 4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide is CC(C)CC(C(=O)Nc1ccccc1)N1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide?
The InChIKey is FMCRNOHXXWCNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O2/c1-22(2)21-29(33(38)35-24-15-7-4-8-16-24)37-32(25-17-9-10-18-26(25)34(37)39)30-27-19-11-12-20-28(27)36-31(30)23-13-5-3-6-14-23/h3-20,22,29,32,36H,21H2,1-2H3,(H,35,38).
What are the key properties of 4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide?
4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide has a molecular weight of 513.64 g/mol, XLogP of 7.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide is sourced from PubChem (CID 4031498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).