methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione

C23H40N2O4 — CID 158181358

IUPACmethane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione
SMILESC.CC(C)(C)OCCCN.CC(C)(C)OCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H19NO3.C7H17NO.CH4/c1-15(2,3)19-10-6-9-16-13(17)11-7-4-5-8-12(11)14(16)18;1-7(2,3)9-6-4-5-8;/h4-5,7-8H,6,9-10H2,1-3H3;4-6,8H2,1-3H3;1H4
InChIKeyFYQDMBFCOQJHHP-UHFFFAOYSA-N
MW408.58 g/mol
LogP4.27
Rot. Bonds7

About methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione

methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione (PubChem CID 158181358) has the molecular formula C23H40N2O4 and a molecular weight of 408.58 g/mol. Its IUPAC name is methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Namemethane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione
PubChem CID158181358
Molecular FormulaC23H40N2O4
Molecular Weight408.58 g/mol
Exact Mass408.30
IUPAC Namemethane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione
SMILESC.CC(C)(C)OCCCN.CC(C)(C)OCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H19NO3.C7H17NO.CH4/c1-15(2,3)19-10-6-9-16-13(17)11-7-4-5-8-12(11)14(16)18;1-7(2,3)9-6-4-5-8;/h4-5,7-8H,6,9-10H2,1-3H3;4-6,8H2,1-3H3;1H4
InChIKeyFYQDMBFCOQJHHP-UHFFFAOYSA-N
XLogP4.27
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.58
LogP ≤ 54.27
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

3-(2-hexoxyphenoxy)propan-1-amine;2-[3-(2-hexoxyphenoxy)propyl]isoindole-1,3-dione
CID 159194160
4-methylpentan-1-amine;3-propan-2-yloxypropan-1-amine;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione
CID 165099348
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-aminopropyl dibenzyl phosphate;dibenzyl 3-(1,3-dioxoisoindol-2-yl)propyl phosphate
CID 158079735
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
2-[7-(2,2-dimethylpropoxy)heptyl]isoindole-1,3-dione
CID 139959344
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
3-(1,3-dioxoisoindol-2-yl)propyl 2-methoxyacetate
CID 110495069
O-[3-(1,3-dioxoisoindol-2-yl)propyl] N-methylcarbamothioate
CID 110495110
3-(1,3-dioxoisoindol-2-yl)propyl 4-tert-butylbenzenesulfonate
CID 110504539
2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione
CID 159105396
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate
CID 7984738

Frequently Asked Questions

What is the IUPAC name of methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione?
The IUPAC name of methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione (CID 158181358) is methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione.
What is the SMILES notation for methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione?
The canonical SMILES for methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione is C.CC(C)(C)OCCCN.CC(C)(C)OCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione?
The InChIKey is FYQDMBFCOQJHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3.C7H17NO.CH4/c1-15(2,3)19-10-6-9-16-13(17)11-7-4-5-8-12(11)14(16)18;1-7(2,3)9-6-4-5-8;/h4-5,7-8H,6,9-10H2,1-3H3;4-6,8H2,1-3H3;1H4.
What are the key properties of methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione?
methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione has a molecular weight of 408.58 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione is sourced from PubChem (CID 158181358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).