3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one

C14H20N2O2 — CID 114990077

IUPAC3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCOCCCNC1C(=O)Nc2c1ccc(C)c2C
InChIInChI=1S/C14H20N2O2/c1-9-5-6-11-12(10(9)2)16-14(17)13(11)15-7-4-8-18-3/h5-6,13,15H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyXRSSEWDHQLHRBD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.92
Rot. Bonds5

About 3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one

3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one (PubChem CID 114990077) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one
PubChem CID114990077
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCOCCCNC1C(=O)Nc2c1ccc(C)c2C
InChIInChI=1S/C14H20N2O2/c1-9-5-6-11-12(10(9)2)16-14(17)13(11)15-7-4-8-18-3/h5-6,13,15H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyXRSSEWDHQLHRBD-UHFFFAOYSA-N
XLogP1.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one (CID 114990077) is 3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one is COCCCNC1C(=O)Nc2c1ccc(C)c2C.
What is the InChIKey of 3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is XRSSEWDHQLHRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-6-11-12(10(9)2)16-14(17)13(11)15-7-4-8-18-3/h5-6,13,15H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one?
3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 114990077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).