2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide

C19H25N5O4 — CID 143510643

IUPAC2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide
SMILESCCN1Cc2ccc(OC)cc2C1=O.CNC(=O)C(NC=O)c1nccn1C
InChIInChI=1S/C11H13NO2.C8H12N4O2/c1-3-12-7-8-4-5-9(14-2)6-10(8)11(12)13;1-9-8(14)6(11-5-13)7-10-3-4-12(7)2/h4-6H,3,7H2,1-2H3;3-6H,1-2H3,(H,9,14)(H,11,13)
InChIKeyHZZRYRAXWZTKPV-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.62
Rot. Bonds6

About 2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide

2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide (PubChem CID 143510643) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide
PubChem CID143510643
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide
SMILESCCN1Cc2ccc(OC)cc2C1=O.CNC(=O)C(NC=O)c1nccn1C
InChIInChI=1S/C11H13NO2.C8H12N4O2/c1-3-12-7-8-4-5-9(14-2)6-10(8)11(12)13;1-9-8(14)6(11-5-13)7-10-3-4-12(7)2/h4-6H,3,7H2,1-2H3;3-6H,1-2H3,(H,9,14)(H,11,13)
InChIKeyHZZRYRAXWZTKPV-UHFFFAOYSA-N
XLogP0.62
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide?
The IUPAC name of 2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide (CID 143510643) is 2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide.
What is the SMILES notation for 2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide?
The canonical SMILES for 2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide is CCN1Cc2ccc(OC)cc2C1=O.CNC(=O)C(NC=O)c1nccn1C.
What is the InChIKey of 2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide?
The InChIKey is HZZRYRAXWZTKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.C8H12N4O2/c1-3-12-7-8-4-5-9(14-2)6-10(8)11(12)13;1-9-8(14)6(11-5-13)7-10-3-4-12(7)2/h4-6H,3,7H2,1-2H3;3-6H,1-2H3,(H,9,14)(H,11,13).
What are the key properties of 2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide?
2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-3H-isoindol-1-one;2-formamido-N-methyl-2-(1-methylimidazol-2-yl)acetamide is sourced from PubChem (CID 143510643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).