5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione

C14H18N2O3 — CID 65176586

IUPAC5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione
SMILESCCOCCCNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C14H18N2O3/c1-3-19-8-4-7-15-10-5-6-11-12(9-10)14(18)16(2)13(11)17/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyOOGBOCAZUJFZRN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.75
Rot. Bonds6

About 5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione

5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione (PubChem CID 65176586) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione
PubChem CID65176586
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione
SMILESCCOCCCNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C14H18N2O3/c1-3-19-8-4-7-15-10-5-6-11-12(9-10)14(18)16(2)13(11)17/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyOOGBOCAZUJFZRN-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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': '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 5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione?
The IUPAC name of 5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione (CID 65176586) is 5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione is CCOCCCNc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione?
The InChIKey is OOGBOCAZUJFZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-19-8-4-7-15-10-5-6-11-12(9-10)14(18)16(2)13(11)17/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of 5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione?
5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione has a molecular weight of 262.31 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 65176586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).