methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione

C16H24N2O4 — CID 159790407

IUPACmethane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione
SMILESC.COCCCNCCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H20N2O4.CH4/c1-20-10-4-8-16-9-5-11-21-17-14(18)12-6-2-3-7-13(12)15(17)19;/h2-3,6-7,16H,4-5,8-11H2,1H3;1H4
InChIKeyNIMGTPMLZNBRPT-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.87
Rot. Bonds9

About methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione

methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione (PubChem CID 159790407) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione.

Molecular Properties

Compound Namemethane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione
PubChem CID159790407
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namemethane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione
SMILESC.COCCCNCCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H20N2O4.CH4/c1-20-10-4-8-16-9-5-11-21-17-14(18)12-6-2-3-7-13(12)15(17)19;/h2-3,6-7,16H,4-5,8-11H2,1H3;1H4
InChIKeyNIMGTPMLZNBRPT-UHFFFAOYSA-N
XLogP1.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(propylamino)propoxy]isoindole-1,3-dione
CID 59259670
3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium
CID 155683089
2-(4-oxopentoxy)isoindole-1,3-dione
CID 46910149
N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide
CID 67455194
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
2-hept-6-enoxyisoindole-1,3-dione
CID 162768811
2-[3-[(2S,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]propoxy]isoindole-1,3-dione
CID 102409191
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
2-[2-(chloromethoxy)ethoxy]isoindole-1,3-dione
CID 86101763
2-[2-(diethylamino)ethoxy]isoindole-1,3-dione
CID 15918162
N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine
CID 54806182
2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione
CID 76853033

Frequently Asked Questions

What is the IUPAC name of methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione?
The IUPAC name of methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione (CID 159790407) is methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione.
What is the SMILES notation for methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione?
The canonical SMILES for methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione is C.COCCCNCCCON1C(=O)c2ccccc2C1=O.
What is the InChIKey of methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione?
The InChIKey is NIMGTPMLZNBRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4.CH4/c1-20-10-4-8-16-9-5-11-21-17-14(18)12-6-2-3-7-13(12)15(17)19;/h2-3,6-7,16H,4-5,8-11H2,1H3;1H4.
What are the key properties of methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione?
methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione has a molecular weight of 308.38 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione is sourced from PubChem (CID 159790407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).