3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one

C16H19N3O2 — CID 61422291

IUPAC3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N(C)Cc3ccoc3)ccc21
InChIInChI=1S/C16H19N3O2/c1-3-17-15-13-5-4-12(8-14(13)18-16(15)20)19(2)9-11-6-7-21-10-11/h4-8,10,15,17H,3,9H2,1-2H3,(H,18,20)
InChIKeyYJLXVWKXCDKXGY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.52
Rot. Bonds5

About 3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one

3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one (PubChem CID 61422291) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one
PubChem CID61422291
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N(C)Cc3ccoc3)ccc21
InChIInChI=1S/C16H19N3O2/c1-3-17-15-13-5-4-12(8-14(13)18-16(15)20)19(2)9-11-6-7-21-10-11/h4-8,10,15,17H,3,9H2,1-2H3,(H,18,20)
InChIKeyYJLXVWKXCDKXGY-UHFFFAOYSA-N
XLogP2.52
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one (CID 61422291) is 3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N(C)Cc3ccoc3)ccc21.
What is the InChIKey of 3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is YJLXVWKXCDKXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-17-15-13-5-4-12(8-14(13)18-16(15)20)19(2)9-11-6-7-21-10-11/h4-8,10,15,17H,3,9H2,1-2H3,(H,18,20).
What are the key properties of 3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one?
3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 285.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61422291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).