4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide

C32H34N4O3 — CID 4665380

IUPAC4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide
SMILESCC(C)CC(C(=O)NNC(=O)CCc1ccccc1)N1C(=O)c2ccccc2C1c1cn(C)c2ccccc12
InChIInChI=1S/C32H34N4O3/c1-21(2)19-28(31(38)34-33-29(37)18-17-22-11-5-4-6-12-22)36-30(24-14-7-8-15-25(24)32(36)39)26-20-35(3)27-16-10-9-13-23(26)27/h4-16,20-21,28,30H,17-19H2,1-3H3,(H,33,37)(H,34,38)
InChIKeyNUAMPBCYUFTXRR-UHFFFAOYSA-N
MW522.65 g/mol
LogP4.92
Rot. Bonds8

About 4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide

4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide (PubChem CID 4665380) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is 4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide.

Molecular Properties

Compound Name4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide
PubChem CID4665380
Molecular FormulaC32H34N4O3
Molecular Weight522.65 g/mol
Exact Mass522.26
IUPAC Name4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide
SMILESCC(C)CC(C(=O)NNC(=O)CCc1ccccc1)N1C(=O)c2ccccc2C1c1cn(C)c2ccccc12
InChIInChI=1S/C32H34N4O3/c1-21(2)19-28(31(38)34-33-29(37)18-17-22-11-5-4-6-12-22)36-30(24-14-7-8-15-25(24)32(36)39)26-20-35(3)27-16-10-9-13-23(26)27/h4-16,20-21,28,30H,17-19H2,1-3H3,(H,33,37)(H,34,38)
InChIKeyNUAMPBCYUFTXRR-UHFFFAOYSA-N
XLogP4.92
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.65
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide
CID 5109693
N-(4-methoxyphenyl)-4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide
CID 45133704
3-(1-methylindol-3-yl)-2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 5131996
N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 3888160
2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1-oxopentan-2-yl]-3-(1-methylindol-3-yl)-3H-isoindol-1-one
CID 3420515
3-(1-methylindol-3-yl)-2-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]-3H-isoindol-1-one
CID 3455313
(2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 41168519
3-fluoro-N'-[2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanoyl]benzohydrazide
CID 4043700
ethyl 4-[[3-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanoyl]amino]piperidine-1-carboxylate
CID 3541094
3-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-phenoxyphenyl)pentanamide
CID 3910004
(3S)-2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-3-(1-methylindol-3-yl)-3H-isoindol-1-one
CID 7345490
4-methoxy-N'-[4-methyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanoyl]benzohydrazide
CID 3604437

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide?
The IUPAC name of 4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide (CID 4665380) is 4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide.
What is the SMILES notation for 4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide?
The canonical SMILES for 4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide is CC(C)CC(C(=O)NNC(=O)CCc1ccccc1)N1C(=O)c2ccccc2C1c1cn(C)c2ccccc12.
What is the InChIKey of 4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide?
The InChIKey is NUAMPBCYUFTXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-21(2)19-28(31(38)34-33-29(37)18-17-22-11-5-4-6-12-22)36-30(24-14-7-8-15-25(24)32(36)39)26-20-35(3)27-16-10-9-13-23(26)27/h4-16,20-21,28,30H,17-19H2,1-3H3,(H,33,37)(H,34,38).
What are the key properties of 4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide?
4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide has a molecular weight of 522.65 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide is sourced from PubChem (CID 4665380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).