5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione

C21H18N2O4 — CID 58078332

IUPAC5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione
SMILESCCCN1C(=O)c2ccc(Cc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O
InChIInChI=1S/C21H18N2O4/c1-3-8-23-20(26)15-7-5-13(11-17(15)21(23)27)9-12-4-6-14-16(10-12)19(25)22(2)18(14)24/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyOMPIODHHIWZZFG-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.51
Rot. Bonds4

About 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione

5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione (PubChem CID 58078332) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione
PubChem CID58078332
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione
SMILESCCCN1C(=O)c2ccc(Cc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O
InChIInChI=1S/C21H18N2O4/c1-3-8-23-20(26)15-7-5-13(11-17(15)21(23)27)9-12-4-6-14-16(10-12)19(25)22(2)18(14)24/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyOMPIODHHIWZZFG-UHFFFAOYSA-N
XLogP2.51
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione with MolForge

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Related Compounds

ethane;methane;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;bis(prop-1-yne)
CID 158185067
5-(aminomethyl)-2-methylisoindole-1,3-dione
CID 82404123
2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione
CID 143335808
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
3-(2-butyl-1,3-dioxoisoindol-5-yl)propanoic acid
CID 58822045
4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid
CID 755791
2-butyl-5-(methylamino)isoindole-1,3-dione
CID 117006264
5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione
CID 91199484
5-[4-(1,3-dioxo-2-undecylisoindol-5-yl)phenyl]-2-undecylisoindole-1,3-dione
CID 100956240
N-(2-methyl-1,3-dioxoisoindol-5-yl)ethanesulfonamide
CID 60656195
7-butyl-18-methyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 20683575

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione (CID 58078332) is 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione is CCCN1C(=O)c2ccc(Cc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.
What is the InChIKey of 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione?
The InChIKey is OMPIODHHIWZZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-3-8-23-20(26)15-7-5-13(11-17(15)21(23)27)9-12-4-6-14-16(10-12)19(25)22(2)18(14)24/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione?
5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione has a molecular weight of 362.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 58078332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).