2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione

C14H18N2O3 — CID 143507804

IUPAC2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione
SMILESCCC(COC)N1C(=O)c2cccc(NC)c2C1=O
InChIInChI=1S/C14H18N2O3/c1-4-9(8-19-3)16-13(17)10-6-5-7-11(15-2)12(10)14(16)18/h5-7,9,15H,4,8H2,1-3H3
InChIKeyWSQCLWJIQVUVFH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.75
Rot. Bonds5

About 2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione

2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione (PubChem CID 143507804) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione
PubChem CID143507804
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione
SMILESCCC(COC)N1C(=O)c2cccc(NC)c2C1=O
InChIInChI=1S/C14H18N2O3/c1-4-9(8-19-3)16-13(17)10-6-5-7-11(15-2)12(10)14(16)18/h5-7,9,15H,4,8H2,1-3H3
InChIKeyWSQCLWJIQVUVFH-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.75
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-(1-methoxybutan-2-yl)-1,3-dioxoisoindol-4-yl]diazenyl]-5,5-dimethyl-3-oxocyclohexen-1-olate
CID 59482186
methyl 3-(3-ethoxy-4-methoxyphenyl)-3-[4-(methylamino)-1,3-dioxoisoindol-2-yl]propanoate
CID 151632184
3-(3-ethoxy-4-methoxyphenyl)-N-hydroxy-3-[4-(methylamino)-1,3-dioxoisoindol-2-yl]propanamide
CID 142645659
N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide
CID 177003139
4-(methylamino)-2-pentylisoindole-1,3-dione
CID 117006093
2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfanylethyl]-4-(methylamino)isoindole-1,3-dione
CID 166810224
[(2R)-2-(1,3-dioxoisoindol-2-yl)butyl] trifluoromethanesulfonate
CID 10020821
2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 155484544
4-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]-2-pentan-3-ylisoindole-1,3-dione
CID 143507947
[(E)-4-[[2-(6-amino-6-oxohexan-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-methylbut-2-enylidene]borinic acid
CID 143502007
4-ethyl-2-propan-2-ylisoindole-1,3-dione
CID 166113919
2-[(2S)-1-hydroxybutan-2-yl]benzo[de]isoquinoline-1,3-dione
CID 7472002

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione?
The IUPAC name of 2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione (CID 143507804) is 2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione?
The canonical SMILES for 2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione is CCC(COC)N1C(=O)c2cccc(NC)c2C1=O.
What is the InChIKey of 2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione?
The InChIKey is WSQCLWJIQVUVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-9(8-19-3)16-13(17)10-6-5-7-11(15-2)12(10)14(16)18/h5-7,9,15H,4,8H2,1-3H3.
What are the key properties of 2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione?
2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione has a molecular weight of 262.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione is sourced from PubChem (CID 143507804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).