2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide

C21H25N3O4 — CID 155742416

IUPAC2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide
SMILESCCCOCc1ccc(NC=O)cc1.CNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C11H15NO2.C10H10N2O2/c1-2-7-14-8-10-3-5-11(6-4-10)12-9-13;1-11-6-3-4-7-8(5-6)10(14)12(2)9(7)13/h3-6,9H,2,7-8H2,1H3,(H,12,13);3-5,11H,1-2H3
InChIKeyTYNCMFXGIXMXLF-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.14
Rot. Bonds7

About 2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide

2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide (PubChem CID 155742416) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide.

Molecular Properties

Compound Name2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide
PubChem CID155742416
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide
SMILESCCCOCc1ccc(NC=O)cc1.CNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C11H15NO2.C10H10N2O2/c1-2-7-14-8-10-3-5-11(6-4-10)12-9-13;1-11-6-3-4-7-8(5-6)10(14)12(2)9(7)13/h3-6,9H,2,7-8H2,1H3,(H,12,13);3-5,11H,1-2H3
InChIKeyTYNCMFXGIXMXLF-UHFFFAOYSA-N
XLogP3.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide?
The IUPAC name of 2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide (CID 155742416) is 2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide.
What is the SMILES notation for 2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide?
The canonical SMILES for 2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide is CCCOCc1ccc(NC=O)cc1.CNc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide?
The InChIKey is TYNCMFXGIXMXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C10H10N2O2/c1-2-7-14-8-10-3-5-11(6-4-10)12-9-13;1-11-6-3-4-7-8(5-6)10(14)12(2)9(7)13/h3-6,9H,2,7-8H2,1H3,(H,12,13);3-5,11H,1-2H3.
What are the key properties of 2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide?
2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide has a molecular weight of 383.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylamino)isoindole-1,3-dione;N-[4-(propoxymethyl)phenyl]formamide is sourced from PubChem (CID 155742416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).