3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one

C14H20N2O2 — CID 114990059

IUPAC3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one
SMILESCCNC1C(=O)N(CCCOC)c2ccccc21
InChIInChI=1S/C14H20N2O2/c1-3-15-13-11-7-4-5-8-12(11)16(14(13)17)9-6-10-18-2/h4-5,7-8,13,15H,3,6,9-10H2,1-2H3
InChIKeyLENCFBNSKMMAKN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.72
Rot. Bonds6

About 3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one

3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one (PubChem CID 114990059) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one
PubChem CID114990059
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one
SMILESCCNC1C(=O)N(CCCOC)c2ccccc21
InChIInChI=1S/C14H20N2O2/c1-3-15-13-11-7-4-5-8-12(11)16(14(13)17)9-6-10-18-2/h4-5,7-8,13,15H,3,6,9-10H2,1-2H3
InChIKeyLENCFBNSKMMAKN-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
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-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one?
The IUPAC name of 3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one (CID 114990059) is 3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one?
The canonical SMILES for 3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one is CCNC1C(=O)N(CCCOC)c2ccccc21.
What is the InChIKey of 3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one?
The InChIKey is LENCFBNSKMMAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-15-13-11-7-4-5-8-12(11)16(14(13)17)9-6-10-18-2/h4-5,7-8,13,15H,3,6,9-10H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one?
3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(3-methoxypropyl)-3H-indol-2-one is sourced from PubChem (CID 114990059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).