2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione

C18H16N2O4 — CID 177450628

IUPAC2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione
SMILESCO/N=C(\C)c1ccc(OC)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O4/c1-11(19-24-3)13-9-8-12(23-2)10-16(13)20-17(21)14-6-4-5-7-15(14)18(20)22/h4-10H,1-3H3/b19-11+
InChIKeyXIAVGWKNYYMSSP-YBFXNURJSA-N
MW324.34 g/mol
LogP2.87
Rot. Bonds4

About 2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione

2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione (PubChem CID 177450628) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione
PubChem CID177450628
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione
SMILESCO/N=C(\C)c1ccc(OC)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O4/c1-11(19-24-3)13-9-8-12(23-2)10-16(13)20-17(21)14-6-4-5-7-15(14)18(20)22/h4-10H,1-3H3/b19-11+
InChIKeyXIAVGWKNYYMSSP-YBFXNURJSA-N
XLogP2.87
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide
CID 10335547
2-(1,3-dioxoisoindol-2-yl)-4-(4-methoxyphenyl)benzoic acid
CID 168518194
(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine
CID 135075443
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide
CID 168516635
2-(4-methoxy-2-nitrophenyl)isoindole-1,3-dione
CID 619974
2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione
CID 168519707
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide
CID 168516679
2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione
CID 168516695
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
CID 44537911
1-(2,5-dimethoxyphenyl)indole-2,3-dione
CID 53359249
methyl 4-(1,3-dioxoisoindol-2-yl)-5-iodo-2-methoxybenzoate
CID 168516193

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione (CID 177450628) is 2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione is CO/N=C(\C)c1ccc(OC)cc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione?
The InChIKey is XIAVGWKNYYMSSP-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(19-24-3)13-9-8-12(23-2)10-16(13)20-17(21)14-6-4-5-7-15(14)18(20)22/h4-10H,1-3H3/b19-11+.
What are the key properties of 2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione?
2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione has a molecular weight of 324.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 177450628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).