2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione

C26H41NO3 — CID 15354128

IUPAC2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione
SMILESCCCCCCCCCCCCCCCCC(CO)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(21-28)27-25(29)23-19-16-17-20-24(23)26(27)30/h16-17,19-20,22,28H,2-15,18,21H2,1H3
InChIKeyYGSJORZMVFSSQU-UHFFFAOYSA-N
MW415.62 g/mol
LogP6.51
Rot. Bonds17

About 2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione

2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione (PubChem CID 15354128) has the molecular formula C26H41NO3 and a molecular weight of 415.62 g/mol. Its IUPAC name is 2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione
PubChem CID15354128
Molecular FormulaC26H41NO3
Molecular Weight415.62 g/mol
Exact Mass415.31
IUPAC Name2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione
SMILESCCCCCCCCCCCCCCCCC(CO)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(21-28)27-25(29)23-19-16-17-20-24(23)26(27)30/h16-17,19-20,22,28H,2-15,18,21H2,1H3
InChIKeyYGSJORZMVFSSQU-UHFFFAOYSA-N
XLogP6.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.62
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-octan-3-yl]isoindole-1,3-dione
CID 102066617
2-[(2S)-1-hydroxy-3-octadecoxypropan-2-yl]isoindole-1,3-dione
CID 163260011
2-(1-bromoundecyl)isoindole-1,3-dione
CID 146464278
2-(1-aminohexan-2-yl)isoindole-1,3-dione
CID 80703930
2-[(3R)-2,2-difluoro-1-hydroxyundecan-3-yl]isoindole-1,3-dione
CID 12968542
2-(1-hydroxydec-2-yn-4-yl)isoindole-1,3-dione
CID 101149693
2-oct-1-yn-3-ylisoindole-1,3-dione
CID 11368854
2-[(2S)-2-hydroxyoctyl]isoindole-1,3-dione
CID 102589808
7,22-di(pentadecan-8-yl)-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2,4,9,11,13,15,17(34),18(27),19(24),20(33),25,28(32),29,35-pentadecaene-6,8,21,23-tetrone
CID 59660947
methyl 2-(1,3-dioxoisoindol-2-yl)heptanoate
CID 101207744
3-[1-(1,3-dioxoisoindol-2-yl)octyl]dioxirane-3-carboxylic acid
CID 90770105
2-(1-fluoropentyl)isoindole-1,3-dione
CID 126495372

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione (CID 15354128) is 2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione is CCCCCCCCCCCCCCCCC(CO)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione?
The InChIKey is YGSJORZMVFSSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(21-28)27-25(29)23-19-16-17-20-24(23)26(27)30/h16-17,19-20,22,28H,2-15,18,21H2,1H3.
What are the key properties of 2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione?
2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione has a molecular weight of 415.62 g/mol, XLogP of 6.51, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 15354128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).