(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide

C13H14N2O4 — CID 15518686

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H14N2O4/c1-8(11(16)14(2)19-3)15-12(17)9-6-4-5-7-10(9)13(15)18/h4-8H,1-3H3/t8-/m0/s1
InChIKeyLVKFLQJYMCSXNX-QMMMGPOBSA-N
MW262.26 g/mol
LogP0.69
Rot. Bonds3

About (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide (PubChem CID 15518686) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide
PubChem CID15518686
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H14N2O4/c1-8(11(16)14(2)19-3)15-12(17)9-6-4-5-7-10(9)13(15)18/h4-8H,1-3H3/t8-/m0/s1
InChIKeyLVKFLQJYMCSXNX-QMMMGPOBSA-N
XLogP0.69
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.69
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

(2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide
CID 7297635
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926563
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926560
potassium 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 19205374
tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))
CID 56647031
methyl (2S)-2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-3-methylbutanoate
CID 101224489
2-(4,4-dichloro-3-oxobutan-2-yl)isoindole-1,3-dione
CID 18704328
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
2-oxopropyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 42970136
ethenyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 693846

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide (CID 15518686) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide is CON(C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide?
The InChIKey is LVKFLQJYMCSXNX-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8(11(16)14(2)19-3)15-12(17)9-6-4-5-7-10(9)13(15)18/h4-8H,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide has a molecular weight of 262.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 15518686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).