5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione

C16H22N2O3 — CID 20785761

IUPAC5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione
SMILESCOCCN1C(=O)c2ccc(NCC(C)(C)C)cc2C1=O
InChIInChI=1S/C16H22N2O3/c1-16(2,3)10-17-11-5-6-12-13(9-11)15(20)18(14(12)19)7-8-21-4/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyGSHBMGVRNOEHGL-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.39
Rot. Bonds5

About 5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione

5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione (PubChem CID 20785761) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione
PubChem CID20785761
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione
SMILESCOCCN1C(=O)c2ccc(NCC(C)(C)C)cc2C1=O
InChIInChI=1S/C16H22N2O3/c1-16(2,3)10-17-11-5-6-12-13(9-11)15(20)18(14(12)19)7-8-21-4/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyGSHBMGVRNOEHGL-UHFFFAOYSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 2232828
5-(3-methoxypropylamino)-2-methylisoindole-1,3-dione
CID 54936023
3-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 2216673
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide
CID 108873670
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]azepane-1-carboxamide
CID 108873671
1-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108873546
2-[[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]propanoic acid
CID 108873596
methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate
CID 39890109
2-(2-methoxyethyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
CID 17359550
6,13-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 102139603
2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]isoindole-1,3-dione
CID 61492358
5-(butylamino)-2-methylisoindole-1,3-dione
CID 14911570

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione?
The IUPAC name of 5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione (CID 20785761) is 5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione?
The canonical SMILES for 5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione is COCCN1C(=O)c2ccc(NCC(C)(C)C)cc2C1=O.
What is the InChIKey of 5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione?
The InChIKey is GSHBMGVRNOEHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)10-17-11-5-6-12-13(9-11)15(20)18(14(12)19)7-8-21-4/h5-6,9,17H,7-8,10H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione?
5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione has a molecular weight of 290.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione is sourced from PubChem (CID 20785761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).