2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione

C14H18N2O3 — CID 57160021

IUPAC2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione
SMILESCCC(CN1C(=O)c2ccccc2C1=O)N(C)OC
InChIInChI=1S/C14H18N2O3/c1-4-10(15(2)19-3)9-16-13(17)11-7-5-6-8-12(11)14(16)18/h5-8,10H,4,9H2,1-3H3
InChIKeyCHUWVJDDXDBGJV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.55
Rot. Bonds5

About 2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione

2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione (PubChem CID 57160021) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione
PubChem CID57160021
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione
SMILESCCC(CN1C(=O)c2ccccc2C1=O)N(C)OC
InChIInChI=1S/C14H18N2O3/c1-4-10(15(2)19-3)9-16-13(17)11-7-5-6-8-12(11)14(16)18/h5-8,10H,4,9H2,1-3H3
InChIKeyCHUWVJDDXDBGJV-UHFFFAOYSA-N
XLogP1.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione
CID 176956532
2-[2-(methylamino)butyl]isoindole-1,3-dione
CID 55135572
2-(3-bromo-2-methoxypropyl)isoindole-1,3-dione
CID 121378395
2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione
CID 63071392
1-(1,3-dioxoisoindol-2-yl)butane-2-sulfonyl chloride
CID 170165876
methane;methyl acetate;2-(2-methylpropyl)isoindole-1,3-dione
CID 159386975
2-(2,3,3-trimethylbutyl)isoindole-1,3-dione
CID 176792858
2-(2-phenylpropyl)isoindole-1,3-dione
CID 10869184
2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione
CID 10592421
2-[(1,3-dioxoisoindol-2-yl)methyl]-3-methylbutanoic acid
CID 65222152
2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione
CID 19422450
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione (CID 57160021) is 2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione is CCC(CN1C(=O)c2ccccc2C1=O)N(C)OC.
What is the InChIKey of 2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione?
The InChIKey is CHUWVJDDXDBGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-10(15(2)19-3)9-16-13(17)11-7-5-6-8-12(11)14(16)18/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione?
2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione has a molecular weight of 262.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione is sourced from PubChem (CID 57160021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).